N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)-2,2-diphenylacetamide

• ChemBase编号: 340695
• 分子式: C32H32N2O3
• 平均质量: 492.60808
• 单一同位素质量: 492.24129289
• SMILES: C(=O)(N(C1CC1)Cc1cc(c(cc1)OC)OCCc1ncccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: COc1ccc(cc1OCCc1ccccn1)CN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1
• InChI: InChI=1S/C32H32N2O3/c1-36-29-18-15-24(22-30(29)37-21-19-27-14-8-9-20-33-27)23-34(28-16-17-28)32(35)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-15,18,20,22,28,31H,16-17,19,21,23H2,1H3
• InChIKey: KJIWEFBWQKYIDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)-2,2-diphenylacetamide
• IUPAC传统名: N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)-2,2-diphenylacetamide
• 别名: N-cyclopropyl-N-{4-methoxy-3-[2-(2-pyridinyl)ethoxy]benzyl}-2,2-diphenylacetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.4402266
• LogD (pH = 7.4): 5.625165
• Log P: 5.6281743
• 摩尔折射率: 145.0338 cm^3
• 极化性: 56.559456 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.49
• LOG S: -6.52
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 10