4-amino-N-cyclohexyl-3-methylbenzamide

• ChemBase ID: 260397
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(c1cc(c(cc1)N)C)NC1CCCCC1
• Canonical SMILES: O=C(c1ccc(c(c1)C)N)NC1CCCCC1
• InChI: InChI=1S/C14H20N2O/c1-10-9-11(7-8-13(10)15)14(17)16-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3,(H,16,17)
• InChIKey: SBGJPNBLQXCNHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-cyclohexyl-3-methylbenzamide
• IUPAC Traditional name: 4-amino-N-cyclohexyl-3-methylbenzamide
• Synonyms: 4-amino-N-cyclohexyl-3-methylbenzamide

Database IDs

• MDL Number: MFCD09045915
• PubChem SID: 164316307
• PubChem CID: 16773559

CALCULATED PROPERTIES

• Acid pKa: 15.926966
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5287483
• LogD (pH = 7.4): 2.5312955
• Log P: 2.5313282
• Molar Refractivity: 70.7889 cm^3
• Polarizability: 26.383333 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 2.434

Product Information

• Purity: 95%