N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide

• ChemBase编号: 683660
• 分子式: C18H27FN2O
• 平均质量: 306.4181832
• 单一同位素质量: 306.21074171
• SMILES: C(=O)(N(C1CCCC1)CCC)C(c1ccc(cc1)F)N(C)C
• Canonical SMILES: CCCN(C(=O)C(c1ccc(cc1)F)N(C)C)C1CCCC1
• InChI: InChI=1S/C18H27FN2O/c1-4-13-21(16-7-5-6-8-16)18(22)17(20(2)3)14-9-11-15(19)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3
• InChIKey: KJCXLIMMUMVFIF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
• IUPAC传统名: N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
• 别名: N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0548615
• LogD (pH = 7.4): 3.4583004
• Log P: 3.6217258
• 摩尔折射率: 87.9484 cm^3
• 极化性: 34.076477 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.9
• LOG S: -4.76
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 6