3-cyclohexyl-N-hydroxypropanamide

• ChemBase ID: 269973
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(=O)(NO)CCC1CCCCC1
• Canonical SMILES: ONC(=O)CCC1CCCCC1
• InChI: InChI=1S/C9H17NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h8,12H,1-7H2,(H,10,11)
• InChIKey: QUWOBGFJSZIJBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-N-hydroxypropanamide
• IUPAC Traditional name: 3-cyclohexyl-N-hydroxypropanamide
• Synonyms: 3-cyclohexyl-N-hydroxypropanamide

Database IDs

• MDL Number: MFCD09941484
• PubChem SID: 164325883
• PubChem CID: 10464756

CALCULATED PROPERTIES

• Acid pKa: 8.907432
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7130332
• LogD (pH = 7.4): 1.6999705
• Log P: 1.7132024
• Molar Refractivity: 46.6088 cm^3
• Polarizability: 18.417294 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.585

Product Information

• Purity: 95%