N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide

C30H32N2O6 — CID 23888600

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide (PubChem CID 23888600) has the molecular formula C30H32N2O6 and a molecular weight of 516.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide
• PubChem CID: 23888600
• Molecular Formula: C30H32N2O6
• Molecular Weight: 516.59 g/mol
• Exact Mass: 516.23
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide
• SMILES: CCOc1ccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)c3cccc(C)c3)C2=O)cc1
• InChI: InChI=1S/C30H32N2O6/c1-5-38-24-12-10-23(11-13-24)32-28(33)19-25(30(32)35)31(29(34)22-8-6-7-20(2)17-22)16-15-21-9-14-26(36-3)27(18-21)37-4/h6-14,17-18,25H,5,15-16,19H2,1-4H3
• InChIKey: VSQIXUBWDSLXIL-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.59
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide (CID 23888600) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide is CCOc1ccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)c3cccc(C)c3)C2=O)cc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide?

The InChIKey is VSQIXUBWDSLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O6/c1-5-38-24-12-10-23(11-13-24)32-28(33)19-25(30(32)35)31(29(34)22-8-6-7-20(2)17-22)16-15-21-9-14-26(36-3)27(18-21)37-4/h6-14,17-18,25H,5,15-16,19H2,1-4H3.

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide has a molecular weight of 516.59 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 23888600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).