N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide

• ChemBase编号: 190915
• 分子式: C30H37NO5
• 平均质量: 491.61848
• 单一同位素质量: 491.26717329
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)C)Cc1cc(c(cc1)OC)OC)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C30H37NO5/c1-21(2)36-25-14-12-24(13-15-25)26(27-9-7-8-10-28(27)33-4)17-18-31(22(3)32)20-23-11-16-29(34-5)30(19-23)35-6/h7-16,19,21,26H,17-18,20H2,1-6H3
• InChIKey: HVMBSDZRONVHDH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]acetamide

登记号

• PubChem SID: 164246825
• PubChem CID: 2964478

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.1627607
• LogD (pH = 7.4): 5.1627607
• Log P: 5.1627607
• 摩尔折射率: 142.5043 cm^3
• 极化性: 55.52526 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds