N-cyclohexyl-3-[methyl(quinolin-5-ylmethyl)amino]propanamide

• ChemBase ID: 534832
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: c1(c2c(nccc2)ccc1)CN(CCC(=O)NC1CCCCC1)C
• Canonical SMILES: CN(Cc1cccc2c1cccn2)CCC(=O)NC1CCCCC1
• InChI: InChI=1S/C20H27N3O/c1-23(14-12-20(24)22-17-8-3-2-4-9-17)15-16-7-5-11-19-18(16)10-6-13-21-19/h5-7,10-11,13,17H,2-4,8-9,12,14-15H2,1H3,(H,22,24)
• InChIKey: CFVWGISHALXASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[methyl(quinolin-5-ylmethyl)amino]propanamide
• IUPAC Traditional name: N-cyclohexyl-3-[methyl(quinolin-5-ylmethyl)amino]propanamide
• Synonyms: N-cyclohexyl-3-[methyl(quinolin-5-ylmethyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.86999
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3391355
• LogD (pH = 7.4): 1.0592405
• Log P: 3.0032973
• Molar Refractivity: 97.0391 cm^3
• Polarizability: 39.253872 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.34
• LOG S: -4.43
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6