N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide

• ChemBase ID: 859859
• Molecular Formular: C25H32N2O4
• Molecular Mass: 424.53258
• Monoisotopic Mass: 424.23620751
• SMILES: N(C(=O)C1CCCCC1)(Cc1cnccc1)Cc1cc(c(OC2CCOC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1COCC1)CN(C(=O)C1CCCCC1)Cc1cccnc1
• InChI: InChI=1S/C25H32N2O4/c1-29-24-14-19(9-10-23(24)31-22-11-13-30-18-22)16-27(17-20-6-5-12-26-15-20)25(28)21-7-3-2-4-8-21/h5-6,9-10,12,14-15,21-22H,2-4,7-8,11,13,16-18H2,1H3
• InChIKey: ZCZKVTLHYPYAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
• Synonyms: N-[3-methoxy-4-(tetrahydro-3-furanyloxy)benzyl]-N-(3-pyridinylmethyl)cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2754612
• LogD (pH = 7.4): 3.3467143
• Log P: 3.3477237
• Molar Refractivity: 119.0663 cm^3
• Polarizability: 46.5957 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.47
• LOG S: -3.44
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7