N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

• ChemBase编号: 191681
• 分子式: C30H37NO4
• 平均质量: 475.61908
• 单一同位素质量: 475.27225867
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1ccc(OC(C)C)cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1OC)CCN(C(=O)CC)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C30H37NO4/c1-6-30(32)31(21-23-11-15-26(16-12-23)35-22(2)3)20-19-27(24-13-17-25(33-4)18-14-24)28-9-7-8-10-29(28)34-5/h7-18,22,27H,6,19-21H2,1-5H3
• InChIKey: JAJUTBJSAOYVLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
• IUPAC传统名: N-[(4-isopropoxyphenyl)methyl]-N-[3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]propanamide

登记号

• PubChem SID: 164247591
• PubChem CID: 4667612

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.0209675
• LogD (pH = 7.4): 6.020968
• Log P: 6.020968
• 摩尔折射率: 140.668 cm^3
• 极化性: 54.861385 Å^3
• 极化表面积: 48.0 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