N-[4-(dimethylamino)phenyl]-3-oxobutanamide

• ChemBase ID: 311441
• Molecular Formular: C12H16N2O2
• Molecular Mass: 220.26764
• Monoisotopic Mass: 220.12117776
• SMILES: C(=O)(CC(=O)C)Nc1ccc(N(C)C)cc1
• Canonical SMILES: O=C(Nc1ccc(cc1)N(C)C)CC(=O)C
• InChI: InChI=1S/C12H16N2O2/c1-9(15)8-12(16)13-10-4-6-11(7-5-10)14(2)3/h4-7H,8H2,1-3H3,(H,13,16)
• InChIKey: AWQYGTWWJLTNMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(dimethylamino)phenyl]-3-oxobutanamide
• IUPAC Traditional name: N-[4-(dimethylamino)phenyl]-3-oxobutanamide
• Synonyms: N-[4-(dimethylamino)phenyl]-3-oxobutanamide

Database IDs

• CAS Number: 38659-86-8
• MDL Number: MFCD01001277

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4880879
• LogD (pH = 7.4): 1.5400062
• Log P: 1.540854
• Molar Refractivity: 65.2448 cm^3
• Polarizability: 23.78635 Å^3
• Polar Surface Area: 49.41 Å^2