2-(2-methoxyphenoxy)-N,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

• ChemBase编号: 526713
• 分子式: C21H34N2O3
• 平均质量: 362.50626
• 单一同位素质量: 362.25694296
• SMILES: C(=O)(N(C1CC(NC(C1)(C)C)(C)C)C)C(Oc1c(OC)cccc1)(C)C
• Canonical SMILES: COc1ccccc1OC(C(=O)N(C1CC(C)(C)NC(C1)(C)C)C)(C)C
• InChI: InChI=1S/C21H34N2O3/c1-19(2)13-15(14-20(3,4)22-19)23(7)18(24)21(5,6)26-17-12-10-9-11-16(17)25-8/h9-12,15,22H,13-14H2,1-8H3
• InChIKey: YXVFMULOOAMYLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-methoxyphenoxy)-N,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• IUPAC传统名: 2-(2-methoxyphenoxy)-N,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• 别名: 2-(2-methoxyphenoxy)-N,2-dimethyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.41641113
• LogD (pH = 7.4): 0.020479538
• Log P: 2.815888
• 摩尔折射率: 104.1622 cm^3
• 极化性: 41.311554 Å^3
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 3.3
• LOG S: -2.31
• 极化表面积: 50.8 Å^2
• 可自由旋转的化学键: 4