Molecule ID: 68704

IUPAC Name: N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide

Description: The molecule is a hydroxamic acid obtained by formal condensation of the carboxy group of ibuprofen with the amino group of hydroxylamine. Used for treatment of pain and inflammation associated with musculoskeletal and joint disorders. It has a role as a non-steroidal anti-inflammatory drug, an iron chelator and a non-narcotic analgesic. It derives from an ibuprofen.

SMILES: CC(C)Cc1ccc(C(C)C(O)=NO)cc1

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

InChI: InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 2.8