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

• ChemBase编号: 190862
• 分子式: C30H37NO4
• 平均质量: 475.61908
• 单一同位素质量: 475.27225867
• SMILES: N(C(=O)CC)(Cc1cc(c(cc1)OC)OC)CCC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C30H37NO4/c1-6-30(32)31(21-23-12-17-28(33-4)29(20-23)34-5)19-18-27(24-10-8-7-9-11-24)25-13-15-26(16-14-25)35-22(2)3/h7-17,20,22,27H,6,18-19,21H2,1-5H3
• InChIKey: ZXQVVNPFDINXKH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164246772
• PubChem CID: 3358642

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: 54.863213 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