Molecule ID: 100526

IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide

Description: The molecule is a secondary carboxamide obtained by formal condensation of the carboxy group of acetic acid with the amino group of dopamine. A dopamine metabolite. It has a role as a human urinary metabolite and a marine metabolite. It is a secondary carboxamide, a member of acetamides and a member of catechols. It derives from a dopamine.

SMILES: CC(O)=NCCc1ccc(O)c(O)c1

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

InChI: InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: -0.7