N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase编号: 738281
• 分子式: C21H32N2O3
• 平均质量: 360.49038
• 单一同位素质量: 360.24129289
• SMILES: C(=O)(N(Cc1c(OCC)cccc1)C1CC1)CC1CN(C(C)C)CCO1
• Canonical SMILES: CCOc1ccccc1CN(C(=O)CC1OCCN(C1)C(C)C)C1CC1
• InChI: InChI=1S/C21H32N2O3/c1-4-25-20-8-6-5-7-17(20)14-23(18-9-10-18)21(24)13-19-15-22(16(2)3)11-12-26-19/h5-8,16,18-19H,4,9-15H2,1-3H3
• InChIKey: SANBFDOGWABICS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC传统名: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-2-(4-isopropylmorpholin-2-yl)acetamide
• 别名: N-cyclopropyl-N-(2-ethoxybenzyl)-2-(4-isopropylmorpholin-2-yl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.5919213
• LogD (pH = 7.4): 2.2146761
• Log P: 2.549399
• 摩尔折射率: 103.3354 cm^3
• 极化性: 40.59315 Å^3
• 极化表面积: 42.01 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: 4
• 质子供体: 0
• Log P: 3.04
• LOG S: -4.42
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 8