N-{[4-(oxolan-2-ylmethoxy)phenyl]methyl}-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide

• ChemBase编号: 381823
• 分子式: C32H32N2O3
• 平均质量: 492.60808
• 单一同位素质量: 492.24129289
• SMILES: C(=O)(N(Cc1cnccc1)Cc1ccc(OCC2OCCC2)cc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)N(Cc1cccnc1)Cc1ccc(cc1)OCC1CCCO1
• InChI: InChI=1S/C32H32N2O3/c35-32(31(27-10-3-1-4-11-27)28-12-5-2-6-13-28)34(23-26-9-7-19-33-21-26)22-25-15-17-29(18-16-25)37-24-30-14-8-20-36-30/h1-7,9-13,15-19,21,30-31H,8,14,20,22-24H2
• InChIKey: IGOOFCBWVBNGNF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(oxolan-2-ylmethoxy)phenyl]methyl}-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
• IUPAC传统名: N-{[4-(oxolan-2-ylmethoxy)phenyl]methyl}-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
• 别名: 2,2-diphenyl-N-(3-pyridinylmethyl)-N-[4-(tetrahydro-2-furanylmethoxy)benzyl]acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.3481236
• LogD (pH = 7.4): 5.419376
• Log P: 5.4203854
• 摩尔折射率: 145.4369 cm^3
• 极化性: 56.65028 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.23
• LOG S: -5.59
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 10