N-acetyl-N-(2-oxopropyl)acetamide

• ChemBase ID: 59409
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: N(C(=O)C)(C(=O)C)CC(=O)C
• Canonical SMILES: CC(=O)CN(C(=O)C)C(=O)C
• InChI: InChI=1S/C7H11NO3/c1-5(9)4-8(6(2)10)7(3)11/h4H2,1-3H3
• InChIKey: GKOFSANZTWTSKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-acetyl-N-(2-oxopropyl)acetamide
• IUPAC Traditional name: N-acetyl-N-(2-oxopropyl)acetamide
• Synonyms: N-Acetyl-N-(2-oxopropyl)acetamide

Database IDs

• MDL Number: MFCD00015628
• PubChem SID: 162064172
• PubChem CID: 12272441

CALCULATED PROPERTIES

• Acid pKa: 18.94501
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0103952
• LogD (pH = 7.4): -1.0103952
• Log P: -1.0103952
• Molar Refractivity: 38.5642 cm^3
• Polarizability: 15.05712 Å^3
• Polar Surface Area: 54.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false