N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

• ChemBase编号: 419817
• 分子式: C23H33N3O3
• 平均质量: 399.52642
• 单一同位素质量: 399.25219193
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)N(CCCC1CCCC1)C
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)N(CCCC1CCCC1)C
• InChI: InChI=1S/C23H33N3O3/c1-26(17-7-10-18-8-3-4-9-18)23(27)16-15-22-25-24-21(29-22)14-13-19-11-5-6-12-20(19)28-2/h5-6,11-12,18H,3-4,7-10,13-17H2,1-2H3
• InChIKey: OWGKNMYKJWGZSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
• IUPAC传统名: N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
• 别名: N-(3-cyclopentylpropyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.2682226
• LogD (pH = 7.4): 3.2682226
• Log P: 3.2682226
• 摩尔折射率: 114.583 cm^3
• 极化性: 43.65738 Å^3
• 极化表面积: 68.46 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.65
• LOG S: -5.47
• 极化表面积: 68.46 Å^2
• 可自由旋转的化学键: 10