N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-methylpropanamide

• ChemBase编号: 510879
• 分子式: C23H28FNO2
• 平均质量: 369.4723232
• 单一同位素质量: 369.21040736
• SMILES: C(=O)(N(Cc1cc(OCc2ccc(F)cc2)ccc1)C1CCCC1)C(C)C
• Canonical SMILES: Fc1ccc(cc1)COc1cccc(c1)CN(C(=O)C(C)C)C1CCCC1
• InChI: InChI=1S/C23H28FNO2/c1-17(2)23(26)25(21-7-3-4-8-21)15-19-6-5-9-22(14-19)27-16-18-10-12-20(24)13-11-18/h5-6,9-14,17,21H,3-4,7-8,15-16H2,1-2H3
• InChIKey: CUGOQYLERYFCMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-methylpropanamide
• IUPAC传统名: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-methylpropanamide
• 别名: N-cyclopentyl-N-{3-[(4-fluorobenzyl)oxy]benzyl}-2-methylpropanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.449264
• LogD (pH = 7.4): 5.4492645
• Log P: 5.4492645
• 摩尔折射率: 105.7787 cm^3
• 极化性: 40.974804 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 5.1
• LOG S: -5.57
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 6