N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)cyclohexanecarboxamide

• ChemBase ID: 363623
• Molecular Formular: C26H34N2O2
• Molecular Mass: 406.56036
• Monoisotopic Mass: 406.26202834
• SMILES: C(=O)(N(Cc1ccc(cc1)OCCc1ncccc1)C1CCCC1)C1CCCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccn1)C1CCCCC1
• InChI: InChI=1S/C26H34N2O2/c29-26(22-8-2-1-3-9-22)28(24-11-4-5-12-24)20-21-13-15-25(16-14-21)30-19-17-23-10-6-7-18-27-23/h6-7,10,13-16,18,22,24H,1-5,8-9,11-12,17,19-20H2
• InChIKey: SLPQHBHOCDOFTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-cyclopentyl-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)cyclohexanecarboxamide
• Synonyms: N-cyclopentyl-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0893946
• LogD (pH = 7.4): 5.2743454
• Log P: 5.277355
• Molar Refractivity: 119.5834 cm^3
• Polarizability: 47.005283 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.98
• LOG S: -5.51
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8