1.0 2011-09-21 01:31:09 UTC 2015-07-21 06:59:15 UTC FDB027865 2-Phenylacetamide 2-Phenylacetamide is an intermediate in phenylalanine metabolism and styrene degradation(KEGG ID C02505). It is the third to last step in the synthesis of phenylacetylglutamine and is converted from phenylalanine via the enzyme phenylalanine 2-monooxygenase [EC:1.13.12.9]. It is then converted to phenylacetate via the enzyme amidase [EC:3.5.1.4]. [HMDB] (alpha-)2-Phenylacetamide 2-phenyl-Acetamide a-Phenylacetamide a-Toluamide alpha-Phenylacetamide alpha-Toluamide alpha-Toluimidic acid Benzeneacetamide beta-Phenyl-acetylamine Phenyl-b-acetylamine Phenyl-beta-acetylamine Phenyl-β-acetylamine Phenylacetamide Phenylacetate amide Phenylacetic acid amide α-phenylacetamide α-toluamide C8H9NO 135.1632 135.068413915 2-phenylacetamide phenylacetamide 103-81-1 NC(=O)CC1=CC=CC=C1 InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) LSBDFXRDZJMBSC-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. Phenylacetamides Organic compounds Benzenoids Benzene and substituted derivatives Phenylacetamides Aromatic homomonocyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Aromatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylacetamide Primary carboxylic acid amide a small molecule monocarboxylic acid amide Solid logp 0.64 ALOGPS logs -1.55 ALOGPS solubility 3.84e+00 g/l ALOGPS logp 0.8 ChemAxon pka_strongest_acidic 16.5 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-phenylacetamide ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles NC(=O)CC1=CC=CC=C1 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) ChemAxon inchikey LSBDFXRDZJMBSC-UHFFFAOYSA-N ChemAxon polar_surface_area 43.09 ChemAxon refractivity 39.19 ChemAxon polarizability 14.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2462 Specdb::MsIr 2463 Specdb::MsIr 2464 Specdb::CMs 1135 Specdb::CMs 1147 Specdb::CMs 22113 Specdb::CMs 31547 Specdb::CMs 31548 Specdb::CMs 32193 Specdb::CMs 156721 Specdb::NmrOneD 92492 Specdb::NmrOneD 92493 Specdb::NmrOneD 92494 Specdb::NmrOneD 92495 Specdb::NmrOneD 92496 Specdb::NmrOneD 92497 Specdb::NmrOneD 92498 Specdb::NmrOneD 92499 Specdb::NmrOneD 92500 Specdb::NmrOneD 92501 Specdb::NmrOneD 92502 Specdb::NmrOneD 92503 Specdb::NmrOneD 92504 Specdb::NmrOneD 92505 Specdb::NmrOneD 92506 Specdb::NmrOneD 92507 Specdb::NmrOneD 92508 Specdb::NmrOneD 92509 Specdb::NmrOneD 92510 Specdb::NmrOneD 92511 Specdb::MsMs 315097 Specdb::MsMs 315098 Specdb::MsMs 315099 Specdb::MsMs 360994 Specdb::MsMs 360995 Specdb::MsMs 360996 Specdb::MsMs 2226426 Specdb::MsMs 2228270 Specdb::MsMs 2228792 Specdb::MsMs 2230673 Specdb::MsMs 2231078 Specdb::MsMs 2233104 Specdb::MsMs 2233510 Specdb::MsMs 2235445 Specdb::MsMs 2254459 Specdb::MsMs 2256098 Specdb::MsMs 2294286 Specdb::MsMs 2294287 Specdb::MsMs 2294288 Specdb::MsMs 2641447 Specdb::MsMs 2641448 Specdb::MsMs 2641449 HMDB10715 16562 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Peroxiredoxin-6 P30041 PRDX6