2-methyl-N-(propan-2-yl)propanamide

• ChemBase ID: 82050
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N(C(=O)C(C)C)C(C)C
• Canonical SMILES: CC(NC(=O)C(C)C)C
• InChI: InChI=1S/C7H15NO/c1-5(2)7(9)8-6(3)4/h5-6H,1-4H3,(H,8,9)
• InChIKey: IGZDXYHMGWRJAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-2-methylpropanamide
• Synonyms: N1-isopropyl-2-methylpropanamide

Database IDs

• MDL Number: MFCD00728933
• PubChem SID: 162069169
• PubChem CID: 230354

CALCULATED PROPERTIES

• Acid pKa: 16.403221
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2102921
• LogD (pH = 7.4): 1.2102928
• Log P: 1.2102928
• Molar Refractivity: 37.7314 cm^3
• Polarizability: 14.829458 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true