1.0 2010-04-08 22:09:40 UTC 2019-11-26 03:04:58 UTC FDB011473 (±)-Aegeline Alkaloid from the leaves of Aegle marmelos (bael). (±)-Aegeline is found in fruits. C18H19NO3 297.3484 297.136493479 (2E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide (2E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide 37791-13-2 COC1=CC=C(C=C1)C(O)CNC(=O)\C=C\C1=CC=CC=C1 InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+ QRFDENJATPJOKG-KPKJPENVSA-N belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Cinnamic acid amides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid amides Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary alcohols Secondary carboxylic acid amides Styrenes Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Secondary alcohol Secondary carboxylic acid amide Styrene logp 2.48 ALOGPS logs -4.37 ALOGPS solubility 1.26e-02 g/l ALOGPS melting_point Mp 176° (173-175°) logp 2.49 ChemAxon pka_strongest_acidic 14.09 ChemAxon pka_strongest_basic 1.11 ChemAxon iupac (2E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide ChemAxon average_mass 297.3484 ChemAxon mono_mass 297.136493479 ChemAxon smiles COC1=CC=C(C=C1)C(O)CNC(=O)\C=C\C1=CC=CC=C1 ChemAxon formula C18H19NO3 ChemAxon inchi InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+ ChemAxon inchikey QRFDENJATPJOKG-KPKJPENVSA-N ChemAxon polar_surface_area 58.56 ChemAxon refractivity 86.82 ChemAxon polarizability 32.94 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15252 Specdb::CMs 43290 Specdb::CMs 168110 Specdb::MsMs 65769 Specdb::MsMs 65770 Specdb::MsMs 65771 Specdb::MsMs 123207 Specdb::MsMs 123208 Specdb::MsMs 123209 Specdb::MsMs 452044 Specdb::MsMs 452045 Specdb::MsMs 2474111 Specdb::MsMs 2474112 Specdb::MsMs 2474113 Specdb::MsMs 2491442 Specdb::MsMs 2491443 Specdb::MsMs 2491444 HMDB33435 #<Reference:0x00007f093c185c80> Fruits Unknown generic