2-{4-[2-(2-methoxyphenoxy)acetyl]morpholin-3-yl}-N-methyl-N-propylacetamide

• ChemBase编号: 651228
• 分子式: C19H28N2O5
• 平均质量: 364.43602
• 单一同位素质量: 364.19982201
• SMILES: N1(C(CC(=O)N(CCC)C)COCC1)C(=O)COc1c(OC)cccc1
• Canonical SMILES: CCCN(C(=O)CC1COCCN1C(=O)COc1ccccc1OC)C
• InChI: InChI=1S/C19H28N2O5/c1-4-9-20(2)18(22)12-15-13-25-11-10-21(15)19(23)14-26-17-8-6-5-7-16(17)24-3/h5-8,15H,4,9-14H2,1-3H3
• InChIKey: FOQFGQXPQKPSSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{4-[2-(2-methoxyphenoxy)acetyl]morpholin-3-yl}-N-methyl-N-propylacetamide
• IUPAC传统名: 2-{4-[2-(2-methoxyphenoxy)acetyl]morpholin-3-yl}-N-methyl-N-propylacetamide
• 别名: 2-{4-[(2-methoxyphenoxy)acetyl]-3-morpholinyl}-N-methyl-N-propylacetamide

理论计算性质

JChem

• Acid pKa: 16.503916
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.85229856
• LogD (pH = 7.4): 0.8522986
• Log P: 0.8522986
• 摩尔折射率: 97.1015 cm^3
• 极化性: 38.040676 Å^3
• 极化表面积: 68.31 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: 5
• 质子供体: 0
• Log P: 1.14
• LOG S: -2.83
• 极化表面积: 68.31 Å^2
• 可自由旋转的化学键: 8