Molecule ID: 13751905

IUPAC Name: N-(2-oxoethyl)-2-phenylacetamide

Description: The molecule is degradation product of benzylpenicillin in which the thiolamino acid penicillamine and carbon dioxide from the labile carboxyl group have been lost, leaving a phenylacetylamino-acetaldehyde. It has a role as an allergen. It derives from an acetaldehyde and a phenylacetic acid.

SMILES: O=CCN=C(O)Cc1ccccc1

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

InChI: InChI=1S/C10H11NO2/c12-7-6-11-10(13)8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,11,13)

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 0.7