N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

• ChemBase ID: 471252
• Molecular Formular: C25H38N2O4
• Molecular Mass: 430.58022
• Monoisotopic Mass: 430.28315771
• SMILES: N(C(=O)C1CCCCC1)(Cc1ccc(cc1)OCCN1CCOCC1)CC1OCCC1
• Canonical SMILES: O=C(C1CCCCC1)N(Cc1ccc(cc1)OCCN1CCOCC1)CC1CCCO1
• InChI: InChI=1S/C25H38N2O4/c28-25(22-5-2-1-3-6-22)27(20-24-7-4-15-30-24)19-21-8-10-23(11-9-21)31-18-14-26-12-16-29-17-13-26/h8-11,22,24H,1-7,12-20H2
• InChIKey: SWSXJIRVWBQFDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
• Synonyms: N-{4-[2-(4-morpholinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1252272
• LogD (pH = 7.4): 3.2428896
• Log P: 3.316101
• Molar Refractivity: 121.8856 cm^3
• Polarizability: 47.924282 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.95
• LOG S: -2.51
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 9