N-butyl-2-(methylamino)acetamide

• ChemBase ID: 307933
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(NCCCC)CNC
• Canonical SMILES: CCCCNC(=O)CNC
• InChI: InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6-8-2/h8H,3-6H2,1-2H3,(H,9,10)
• InChIKey: YPQBXFWRJLBFDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-(methylamino)acetamide
• IUPAC Traditional name: N-butyl-2-(methylamino)acetamide
• Synonyms: N~1~-butyl-N~2~-methylglycinamide

Database IDs

• CAS Number: 117194-70-4
• MDL Number: MFCD09864444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9454486
• LogD (pH = 7.4): -1.3889964
• Log P: 0.025737304
• Molar Refractivity: 41.3705 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 41.13 Å^2