Molecule ID: 14412557

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide

Description: The molecule is a member of the class of cinnamamides that is an enamide obtained by the formal condensation of ferulic acid with 4'-O-methyldopamine. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a member of cinnamamides, a member of guaiacols and a secondary carboxamide. It derives from a ferulic acid.

SMILES: COc1ccc(CCN=C(O)/C=C/c2ccc(O)c(OC)c2)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: 2.1