N-(2-methoxyethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase编号: 525704
• 分子式: C23H30N2O2
• 平均质量: 366.4965
• 单一同位素质量: 366.23072821
• SMILES: C1(C(=O)N(CCOC)C)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: COCCN(C(=O)C1(Cc2c(C1)cccc2)N(CCc1ccccc1)C)C
• InChI: InChI=1S/C23H30N2O2/c1-24(15-16-27-3)22(26)23(17-20-11-7-8-12-21(20)18-23)25(2)14-13-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3
• InChIKey: FDNVEFDJKOFGQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
• 别名: N-(2-methoxyethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-2-indanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.78042215
• LogD (pH = 7.4): 2.5391455
• Log P: 3.615658
• 摩尔折射率: 110.4866 cm^3
• 极化性: 42.818142 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.76
• LOG S: -5.08
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 8