N-{[4-(cyclooctyloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide

• ChemBase ID: 348130
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: N(C(=O)C1CC1)(Cc1cnccc1)Cc1ccc(OC2CCCCCCC2)cc1
• Canonical SMILES: O=C(N(Cc1cccnc1)Cc1ccc(cc1)OC1CCCCCCC1)C1CC1
• InChI: InChI=1S/C25H32N2O2/c28-25(22-12-13-22)27(19-21-7-6-16-26-17-21)18-20-10-14-24(15-11-20)29-23-8-4-2-1-3-5-9-23/h6-7,10-11,14-17,22-23H,1-5,8-9,12-13,18-19H2
• InChIKey: PIWAMTGEWKVENG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclooctyloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-{[4-(cyclooctyloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
• Synonyms: N-[4-(cyclooctyloxy)benzyl]-N-(3-pyridinylmethyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.886608
• LogD (pH = 7.4): 4.957861
• Log P: 4.9588704
• Molar Refractivity: 115.4062 cm^3
• Polarizability: 45.23589 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.45
• LOG S: -4.59
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7