N-(propan-2-yl)acetamide

• ChemBase ID: 289945
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: CC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)C)C
• InChI: InChI=1S/C5H11NO/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)
• InChIKey: PDUSWJORWQPNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropylacetamide
• Synonyms: N-Isopropylacetamide

Database IDs

• CAS Number: 1118-69-0
• PubChem SID: 180675476
• PubChem CID: 136874

CALCULATED PROPERTIES

• Acid pKa: 16.416965
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.03322933
• LogD (pH = 7.4): -0.033229284
• Log P: -0.033229284
• Molar Refractivity: 28.53 cm^3
• Polarizability: 11.1500025 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%