2-(4-formyl-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

• ChemBase编号: 229023
• 分子式: C19H21NO4
• 平均质量: 327.37434
• 单一同位素质量: 327.14705816
• SMILES: c1(NC(=O)COc2c(cc(C=O)cc2)OC)c(cc(cc1C)C)C
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(cc1C)C
• InChI: InChI=1S/C19H21NO4/c1-12-7-13(2)19(14(3)8-12)20-18(22)11-24-16-6-5-15(10-21)9-17(16)23-4/h5-10H,11H2,1-4H3,(H,20,22)
• InChIKey: ZLUVXNGOKGSHCA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
• IUPAC传统名: 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
• 别名: 2-(4-Formyl-2-methoxy-phenoxy)-N-(2,4,6-trimethyl-phenyl)-acetamide

登记号

• MDL号: MFCD03152774
• PubChem SID: 164284933
• PubChem CID: 2223857

理论计算性质

• Acid pKa: 12.726122
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.822955
• LogD (pH = 7.4): 3.822953
• Log P: 3.822955
• 摩尔折射率: 95.0539 cm^3
• 极化性: 35.187126 Å^3
• 极化表面积: 64.63 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.263

产品相关信息

• 纯度: 95%