2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide

C33H44N2O6 — CID 146227913

About 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide

2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide (PubChem CID 146227913) has the molecular formula C33H44N2O6 and a molecular weight of 564.72 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide
• PubChem CID: 146227913
• Molecular Formula: C33H44N2O6
• Molecular Weight: 564.72 g/mol
• Exact Mass: 564.32
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide
• SMILES: COc1ccc(CCN(C)CCCC(C(=O)Nc2ccc(O)cc2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
• InChI: InChI=1S/C33H44N2O6/c1-23(2)33(25-10-16-29(39-5)31(22-25)41-7,32(37)34-26-11-13-27(36)14-12-26)18-8-19-35(3)20-17-24-9-15-28(38-4)30(21-24)40-6/h9-16,21-23,36H,8,17-20H2,1-7H3,(H,34,37)
• InChIKey: MGYXDVSAXVDNMP-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 89.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.72
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide (CID 146227913) is 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide is COc1ccc(CCN(C)CCCC(C(=O)Nc2ccc(O)cc2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide?

The InChIKey is MGYXDVSAXVDNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O6/c1-23(2)33(25-10-16-29(39-5)31(22-25)41-7,32(37)34-26-11-13-27(36)14-12-26)18-8-19-35(3)20-17-24-9-15-28(38-4)30(21-24)40-6/h9-16,21-23,36H,8,17-20H2,1-7H3,(H,34,37).

What are the key properties of 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide?

2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide has a molecular weight of 564.72 g/mol, XLogP of 5.91, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-hydroxyphenyl)-2-propan-2-ylpentanamide is sourced from PubChem (CID 146227913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).