N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide

C30H32N2O6 — CID 3851775

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide (PubChem CID 3851775) 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-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide
• PubChem CID: 3851775
• Molecular Formula: C30H32N2O6
• Molecular Weight: 516.59 g/mol
• Exact Mass: 516.23
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide
• SMILES: CCCOc1ccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C30H32N2O6/c1-4-18-38-24-13-11-23(12-14-24)32-28(33)20-25(30(32)35)31(29(34)22-8-6-5-7-9-22)17-16-21-10-15-26(36-2)27(19-21)37-3/h5-15,19,25H,4,16-18,20H2,1-3H3
• InChIKey: YDHIMSTWMSCLRT-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.59
LogP ≤ 5	4.51
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-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide (CID 3851775) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide is CCCOc1ccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)c3ccccc3)C2=O)cc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide?

The InChIKey is YDHIMSTWMSCLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O6/c1-4-18-38-24-13-11-23(12-14-24)32-28(33)20-25(30(32)35)31(29(34)22-8-6-5-7-9-22)17-16-21-10-15-26(36-2)27(19-21)37-3/h5-15,19,25H,4,16-18,20H2,1-3H3.

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide has a molecular weight of 516.59 g/mol, XLogP of 4.51, 11 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-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 3851775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).