N,N-dimethyl-2-(N-methylacetamido)acetamide

• ChemBase ID: 238490
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(CN(C(=O)C)C)N(C)C
• Canonical SMILES: CC(=O)N(CC(=O)N(C)C)C
• InChI: InChI=1S/C7H14N2O2/c1-6(10)9(4)5-7(11)8(2)3/h5H2,1-4H3
• InChIKey: FTCKNTYNBZIOBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(N-methylacetamido)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(N-methylacetamido)acetamide
• Synonyms: N,N-dimethyl-2-(N-methylacetamido)acetamide

Database IDs

• MDL Number: MFCD20355937
• PubChem SID: 164294400
• PubChem CID: 193652

CALCULATED PROPERTIES

• Acid pKa: 19.559132
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4645435
• LogD (pH = 7.4): -1.4645433
• Log P: -1.4645433
• Molar Refractivity: 41.9595 cm^3
• Polarizability: 16.080784 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.785

Product Information

• Purity: 95%