N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase编号: 472975
• 分子式: C22H33N3O
• 平均质量: 355.51692
• 单一同位素质量: 355.26236269
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)N(CCN(C)C)C1CCCC1
• Canonical SMILES: CN(CCN(C(=O)Cc1c(C)[nH]c2c1c(C)ccc2C)C1CCCC1)C
• InChI: InChI=1S/C22H33N3O/c1-15-10-11-16(2)22-21(15)19(17(3)23-22)14-20(26)25(13-12-24(4)5)18-8-6-7-9-18/h10-11,18,23H,6-9,12-14H2,1-5H3
• InChIKey: GLEJPQANGUEXEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC传统名: N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• 别名: N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 16.964771
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.0956182
• LogD (pH = 7.4): 2.8510022
• Log P: 3.9499161
• 摩尔折射率: 109.7321 cm^3
• 极化性: 43.133465 Å^3
• 极化表面积: 39.34 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: 1
• Log P: 3.92
• LOG S: -5.14
• 极化表面积: 39.34 Å^2
• 可自由旋转的化学键: 6