2-acetamido-N,N-dimethylacetamide

• ChemBase ID: 238579
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C(=O)(N(C)C)CNC(=O)C
• Canonical SMILES: CC(=O)NCC(=O)N(C)C
• InChI: InChI=1S/C6H12N2O2/c1-5(9)7-4-6(10)8(2)3/h4H2,1-3H3,(H,7,9)
• InChIKey: ZRVISOPSRUBVQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamido-N,N-dimethylacetamide
• IUPAC Traditional name: 2-acetamido-N,N-dimethylacetamide
• Synonyms: 2-acetamido-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD19159613
• PubChem SID: 164294489
• PubChem CID: 15684457

CALCULATED PROPERTIES

• Acid pKa: 13.305409
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6882194
• LogD (pH = 7.4): -1.6882199
• Log P: -1.6882194
• Molar Refractivity: 37.0628 cm^3
• Polarizability: 14.254132 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.215

Product Information

• Purity: 95%