Molecule ID: 5577

IUPAC Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide

Description: The molecule is the amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans. It has a role as an antiemetic. It is a tertiary amino compound and a member of benzamides.

SMILES: COc1cc(C(O)=NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC

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

InChI: InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)

Molecular Properties:
- Polar Surface Area: 69.3 Ų
- LogP: 2.3