2-acetamido-N,N-dimethylpropanamide

• ChemBase ID: 238646
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(C(NC(=O)C)C)N(C)C
• Canonical SMILES: CC(=O)NC(C(=O)N(C)C)C
• InChI: InChI=1S/C7H14N2O2/c1-5(8-6(2)10)7(11)9(3)4/h5H,1-4H3,(H,8,10)
• InChIKey: RTLKLCHUVKNOPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20355180
• PubChem SID: 164294556
• PubChem CID: 21719897

CALCULATED PROPERTIES

• Acid pKa: 13.125479
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1194552
• LogD (pH = 7.4): -1.1194559
• Log P: -1.1194552
• Molar Refractivity: 41.5567 cm^3
• Polarizability: 16.080784 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.906

Product Information

• Purity: 95%