N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

• ChemBase编号: 520453
• 分子式: C21H34N2O2
• 平均质量: 346.50686
• 单一同位素质量: 346.26202834
• SMILES: C(=O)(N(C1CC(NC(C1)(C)C)(C)C)C)C(Oc1cc(ccc1)C)(C)C
• Canonical SMILES: Cc1cccc(c1)OC(C(=O)N(C1CC(C)(C)NC(C1)(C)C)C)(C)C
• InChI: InChI=1S/C21H34N2O2/c1-15-10-9-11-17(12-15)25-21(6,7)18(24)23(8)16-13-19(2,3)22-20(4,5)14-16/h9-12,16,22H,13-14H2,1-8H3
• InChIKey: WAQQTNSCSXQVCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• IUPAC传统名: N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• 别名: N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.25468153
• LogD (pH = 7.4): 0.6915722
• Log P: 3.4869804
• 摩尔折射率: 102.7402 cm^3
• 极化性: 40.56666 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 4.06
• LOG S: -2.91
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 4