3-(methylamino)-N-(propan-2-yl)propanamide

• ChemBase ID: 123114
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(NC(C)C)CCNC
• Canonical SMILES: CNCCC(=O)NC(C)C
• InChI: InChI=1S/C7H16N2O/c1-6(2)9-7(10)4-5-8-3/h6,8H,4-5H2,1-3H3,(H,9,10)
• InChIKey: DZGOQFFYNQWCDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methylamino)-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-3-(methylamino)propanamide
• Synonyms: N-isopropyl-3-(methylamino)propanamide

Database IDs

• PubChem SID: 162217467
• PubChem CID: 33747841

CALCULATED PROPERTIES

• Acid pKa: 16.349949
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4769456
• LogD (pH = 7.4): -2.4798741
• Log P: -0.287766
• Molar Refractivity: 41.3637 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true