N-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)-N-(naphthalen-1-ylmethyl)acetamide

• ChemBase编号: 779424
• 分子式: C22H30N2O2
• 平均质量: 354.4858
• 单一同位素质量: 354.23072821
• SMILES: C(=O)(CC1N(C)CCCC1)N(Cc1c2c(ccc1)cccc2)CCOC
• Canonical SMILES: COCCN(C(=O)CC1CCCCN1C)Cc1cccc2c1cccc2
• InChI: InChI=1S/C22H30N2O2/c1-23-13-6-5-11-20(23)16-22(25)24(14-15-26-2)17-19-10-7-9-18-8-3-4-12-21(18)19/h3-4,7-10,12,20H,5-6,11,13-17H2,1-2H3
• InChIKey: TYAYEEYUPUXZTA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)-N-(naphthalen-1-ylmethyl)acetamide
• IUPAC传统名: N-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)-N-(naphthalen-1-ylmethyl)acetamide
• 别名: N-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)-N-(1-naphthylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.21314049
• LogD (pH = 7.4): 1.1946988
• Log P: 3.1226826
• 摩尔折射率: 106.3062 cm^3
• 极化性: 42.674984 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.58
• LOG S: -4.84
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7