1.0 2010-04-08 22:15:25 UTC 2018-05-29 01:49:18 UTC FDB021028 N-[2-(4-Prenyloxyphenyl)ethyl]tiglamide Constituent of Boronia megastigma (brown boronia) N-[2-(4-Prenyloxyphenyl)ethyl]tiglamide C18H25NO2 287.3966 287.188529049 (2E)-2-methyl-N-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)but-2-enamide (2E)-2-methyl-N-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)but-2-enamide 172837-74-0 C\C=C(/C)C(=O)NCCC1=CC=C(OCC=C(C)C)C=C1 InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+ VKVSQOIICDPVQR-PJQLUOCWSA-N belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Phenol ethers Organic compounds Benzenoids Phenol ethers Aromatic homomonocyclic compounds Alkyl aryl ethers Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides Alkyl aryl ether Aromatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary carboxylic acid amide logp 4.49 ALOGPS logs -4.65 ALOGPS solubility 6.40e-03 g/l ALOGPS melting_point Mp 69-71° logp 3.95 ChemAxon pka_strongest_acidic 15.78 ChemAxon pka_strongest_basic 1.96 ChemAxon iupac (2E)-2-methyl-N-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)but-2-enamide ChemAxon average_mass 287.3966 ChemAxon mono_mass 287.188529049 ChemAxon smiles C\C=C(/C)C(=O)NCCC1=CC=C(OCC=C(C)C)C=C1 ChemAxon formula C18H25NO2 ChemAxon inchi InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+ ChemAxon inchikey VKVSQOIICDPVQR-PJQLUOCWSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 88.99 ChemAxon polarizability 34.58 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17458 Specdb::CMs 134773 Specdb::CMs 142507 Specdb::MsMs 304594 Specdb::MsMs 304595 Specdb::MsMs 304596 Specdb::MsMs 347851 Specdb::MsMs 347852 Specdb::MsMs 347853 Specdb::MsMs 2713573 Specdb::MsMs 2713574 Specdb::MsMs 2713575 Specdb::MsMs 2964837 Specdb::MsMs 2964838 Specdb::MsMs 2964839 HMDB41142 #<Reference:0x000055ce323f3a30>