4-(2-ethoxypyridine-3-carbonyl)-2-[(4-methoxyphenyl)methyl]morpholine

• ChemBase ID: 560118
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: C(=O)(N1CC(OCC1)Cc1ccc(cc1)OC)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1C(=O)N1CCOC(C1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C20H24N2O4/c1-3-25-19-18(5-4-10-21-19)20(23)22-11-12-26-17(14-22)13-15-6-8-16(24-2)9-7-15/h4-10,17H,3,11-14H2,1-2H3
• InChIKey: DHOBJUQFXOHTEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxypyridine-3-carbonyl)-2-[(4-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-(2-ethoxypyridine-3-carbonyl)-2-[(4-methoxyphenyl)methyl]morpholine
• Synonyms: 4-[(2-ethoxy-3-pyridinyl)carbonyl]-2-(4-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5438306
• LogD (pH = 7.4): 2.543889
• Log P: 2.5438898
• Molar Refractivity: 98.8737 cm^3
• Polarizability: 37.920692 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.26
• LOG S: -3.73
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 6