2-acetamido-N-methylacetamide

• ChemBase ID: 238628
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C(=O)(CNC(=O)C)NC
• Canonical SMILES: CNC(=O)CNC(=O)C
• InChI: InChI=1S/C5H10N2O2/c1-4(8)7-3-5(9)6-2/h3H2,1-2H3,(H,6,9)(H,7,8)
• InChIKey: FJMAXCRRCJSCIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamido-N-methylacetamide
• IUPAC Traditional name: 2-acetamido-N-methylacetamide
• Synonyms: 2-acetamido-N-methylacetamide

Database IDs

• MDL Number: MFCD00038241
• PubChem SID: 164294538
• PubChem CID: 439506

CALCULATED PROPERTIES

• Acid pKa: 13.196726
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9118955
• LogD (pH = 7.4): -1.9118961
• Log P: -1.9118955
• Molar Refractivity: 32.1661 cm^3
• Polarizability: 12.432143 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.645

Product Information

• Purity: 95%