N-methyl-3-(morpholin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

• ChemBase编号: 621931
• 分子式: C22H26N2O2
• 平均质量: 350.45404
• 单一同位素质量: 350.19942808
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)c1cc(N2CCOCC2)ccc1
• Canonical SMILES: CN(C1CCCc2c1cccc2)C(=O)c1cccc(c1)N1CCOCC1
• InChI: InChI=1S/C22H26N2O2/c1-23(21-11-5-7-17-6-2-3-10-20(17)21)22(25)18-8-4-9-19(16-18)24-12-14-26-15-13-24/h2-4,6,8-10,16,21H,5,7,11-15H2,1H3
• InChIKey: HYITWQOLDFVZKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-3-(morpholin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• IUPAC传统名: N-methyl-3-(morpholin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• 别名: N-methyl-3-(4-morpholinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)benzamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.8740454
• LogD (pH = 7.4): 3.8740478
• Log P: 3.8740478
• 摩尔折射率: 105.2273 cm^3
• 极化性: 39.622807 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.47
• LOG S: -3.87
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 3