2-cyclohexylacetamide

• ChemBase ID: 270230
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C(=O)(CC1CCCCC1)N
• Canonical SMILES: NC(=O)CC1CCCCC1
• InChI: InChI=1S/C8H15NO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)
• InChIKey: DKLQJNUJPSHYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylacetamide
• IUPAC Traditional name: 2-cyclohexylacetamide
• Synonyms: 2-cyclohexylacetamide

Database IDs

• MDL Number: MFCD01734484
• PubChem SID: 164326140
• PubChem CID: 95078

CALCULATED PROPERTIES

• Acid pKa: 16.89346
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2718143
• LogD (pH = 7.4): 1.2718153
• Log P: 1.2718154
• Molar Refractivity: 40.2432 cm^3
• Polarizability: 15.942945 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 1.536

Product Information

• Purity: 95%