N,N-dimethyl-4-oxopentanamide

• ChemBase ID: 109155
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: CN(C)C(=O)CCC(=O)C
• Canonical SMILES: CC(=O)CCC(=O)N(C)C
• InChI: InChI=1S/C7H13NO2/c1-6(9)4-5-7(10)8(2)3/h4-5H2,1-3H3
• InChIKey: HZGHSXQROPQLCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-oxopentanamide
• IUPAC Traditional name: levulinamide, N,N-dimethyl-
• Synonyms: N,N-DIMETHYLLEVULINIC AMIDE

Database IDs

• PubChem SID: 162106286
• PubChem CID: 83488

CALCULATED PROPERTIES

• Acid pKa: 18.665504
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.42844814
• LogD (pH = 7.4): -0.42844793
• Log P: -0.42844793
• Molar Refractivity: 38.7037 cm^3
• Polarizability: 14.925313 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210051

MP Biomedicals Rare Chemical collection