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

• ChemBase ID: 75059
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: N(C(C)C)(C(=O)C(C)C)C(C)C
• Canonical SMILES: CC(C(=O)N(C(C)C)C(C)C)C
• InChI: InChI=1S/C10H21NO/c1-7(2)10(12)11(8(3)4)9(5)6/h7-9H,1-6H3
• InChIKey: QBBRHCGHMJKLIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N,N-bis(propan-2-yl)propanamide
• IUPAC Traditional name: N,N-diisopropyl-2-methylpropanamide
• Synonyms: N,N-Diisopropylisobutyramide

Database IDs

• CAS Number: 6282-98-0
• MDL Number: MFCD00800590
• PubChem SID: 162039977
• PubChem CID: 221978

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2073493
• LogD (pH = 7.4): 2.207352
• Log P: 2.207352
• Molar Refractivity: 51.7955 cm^3
• Polarizability: 20.357784 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true