Molecule ID: 14211540

IUPAC Name: 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide

Description: The molecule is a member of the class of ethanolamines that is 2-aminoethanol substituted by a [4-(2-amino-2-oxoethyl)phenoxy]methyl group at position 1. It is a metabolite of the drug atenolol. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is an aromatic ether, a member of ethanolamines, a propanolamine, a monocarboxylic acid amide and a primary amino compound.

SMILES: N=C(O)Cc1ccc(OCC(O)CN)cc1

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

InChI: InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)

Molecular Properties:
- Polar Surface Area: 98.6 Ų
- LogP: -1.2