2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide

• ChemBase ID: 272941
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: c12c(NC(=O)CC3CCCCC3)cccc1NCCC2
• Canonical SMILES: O=C(Nc1cccc2c1CCCN2)CC1CCCCC1
• InChI: InChI=1S/C17H24N2O/c20-17(12-13-6-2-1-3-7-13)19-16-10-4-9-15-14(16)8-5-11-18-15/h4,9-10,13,18H,1-3,5-8,11-12H2,(H,19,20)
• InChIKey: UHISAGGHSGOBEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
• IUPAC Traditional name: 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide
• Synonyms: 2-cyclohexyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)acetamide

Database IDs

• MDL Number: MFCD12556311
• PubChem SID: 164328851
• PubChem CID: 28779934

CALCULATED PROPERTIES

• Acid pKa: 14.183314
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4140065
• LogD (pH = 7.4): 3.469539
• Log P: 3.4702952
• Molar Refractivity: 84.8027 cm^3
• Polarizability: 31.390043 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194°C
• Hydrophobicity(logP): 3.854

Product Information

• Purity: 95%