N-{[4-(cycloheptyloxy)-3-methoxyphenyl]methyl}-N-(pyridin-2-ylmethyl)cyclopropanecarboxamide

• ChemBase ID: 821124
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: N(C(=O)C1CC1)(Cc1cc(c(OC2CCCCCC2)cc1)OC)Cc1ncccc1
• Canonical SMILES: COc1cc(ccc1OC1CCCCCC1)CN(C(=O)C1CC1)Cc1ccccn1
• InChI: InChI=1S/C25H32N2O3/c1-29-24-16-19(11-14-23(24)30-22-9-4-2-3-5-10-22)17-27(25(28)20-12-13-20)18-21-8-6-7-15-26-21/h6-8,11,14-16,20,22H,2-5,9-10,12-13,17-18H2,1H3
• InChIKey: LHFOOAIXMYZPLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cycloheptyloxy)-3-methoxyphenyl]methyl}-N-(pyridin-2-ylmethyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-{[4-(cycloheptyloxy)-3-methoxyphenyl]methyl}-N-(pyridin-2-ylmethyl)cyclopropanecarboxamide
• Synonyms: N-[4-(cycloheptyloxy)-3-methoxybenzyl]-N-(2-pyridinylmethyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.42043
• LogD (pH = 7.4): 4.4378753
• Log P: 4.4381022
• Molar Refractivity: 116.7462 cm^3
• Polarizability: 45.90381 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.63
• LOG S: -5.45
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7