2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide

• ChemBase ID: 273143
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: c12c(NC(=O)CC3CCCCC3)cccc2CCCN1
• Canonical SMILES: O=C(Nc1cccc2c1NCCC2)CC1CCCCC1
• InChI: InChI=1S/C17H24N2O/c20-16(12-13-6-2-1-3-7-13)19-15-10-4-8-14-9-5-11-18-17(14)15/h4,8,10,13,18H,1-3,5-7,9,11-12H2,(H,19,20)
• InChIKey: KWVIHVUISCTJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide
• IUPAC Traditional name: 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide
• Synonyms: 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)acetamide

Database IDs

• MDL Number: MFCD12631078
• PubChem SID: 164329053
• PubChem CID: 28779940

CALCULATED PROPERTIES

• Acid pKa: 13.929705
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.443802
• LogD (pH = 7.4): 3.4699512
• Log P: 3.4702952
• Molar Refractivity: 84.8027 cm^3
• Polarizability: 31.390142 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 3.854

Product Information

• Purity: 95%