1.0 2010-04-08 22:15:44 UTC 2019-11-26 03:20:27 UTC FDB021493 Nb-p-Coumaroyltryptamine Found in kernels of sweet corn (Zea mays) Nb-p-Coumaroyltryptamine C19H18N2O2 306.3584 306.13682783 (2E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (2E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide 53905-12-7 OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=CC=C3)C=C1 InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+ CDMGLLBADMBULG-JXMROGBWSA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-alkylindoles Azacyclic compounds Carbonyl compounds Cinnamic acid amides Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Styrenes Substituted pyrroles 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cinnamic acid amide Coumaric acid or derivatives Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Pyrrole Secondary carboxylic acid amide Styrene Substituted pyrrole logp 3.28 ALOGPS logs -5.02 ALOGPS solubility 2.94e-03 g/l ALOGPS logp 3.36 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic 1.21 ChemAxon iupac (2E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide ChemAxon average_mass 306.3584 ChemAxon mono_mass 306.13682783 ChemAxon smiles OC1=CC=C(\C=C\C(=O)NCCC2=CNC3=C2C=CC=C3)C=C1 ChemAxon formula C19H18N2O2 ChemAxon inchi InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+ ChemAxon inchikey CDMGLLBADMBULG-JXMROGBWSA-N ChemAxon polar_surface_area 65.12 ChemAxon refractivity 92.21 ChemAxon polarizability 34.31 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20256 Specdb::CMs 47363 Specdb::CMs 134218 Specdb::CMs 141952 Specdb::MsMs 311110 Specdb::MsMs 311111 Specdb::MsMs 311112 Specdb::MsMs 355999 Specdb::MsMs 356000 Specdb::MsMs 356001 Specdb::MsMs 2295090 Specdb::MsMs 2295091 Specdb::MsMs 2295092 Specdb::MsMs 2640265 Specdb::MsMs 2640266 Specdb::MsMs 2640267 HMDB41518 #<Reference:0x000055ce324fe9c0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fats and oils Unknown generic