N-methyl-2-(N-methylacetamido)acetamide

• ChemBase ID: 238580
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C(=O)(N(CC(=O)NC)C)C
• Canonical SMILES: CNC(=O)CN(C(=O)C)C
• InChI: InChI=1S/C6H12N2O2/c1-5(9)8(3)4-6(10)7-2/h4H2,1-3H3,(H,7,10)
• InChIKey: UXNHSCSOCKZTDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19595954
• PubChem SID: 164294490
• PubChem CID: 57939428

CALCULATED PROPERTIES

• Acid pKa: 15.732475
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6882195
• LogD (pH = 7.4): -1.6882194
• 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%