N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide

C30H26N4O5 — CID 23916419

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 23916419) has the molecular formula C30H26N4O5 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
• PubChem CID: 23916419
• Molecular Formula: C30H26N4O5
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.19
• IUPAC Name: N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC
• InChI: InChI=1S/C30H26N4O5/c1-38-26-12-9-20(15-27(26)39-2)29(36)33(14-13-21-18-32-24-6-4-3-5-23(21)24)25-16-28(35)34(30(25)37)22-10-7-19(17-31)8-11-22/h3-12,15,18,25,32H,13-14,16H2,1-2H3
• InChIKey: MDYJDFGWLMZNCB-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 115.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
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-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?

The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide (CID 23916419) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(CCc2c[nH]c3ccccc23)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC.

What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?

The InChIKey is MDYJDFGWLMZNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O5/c1-38-26-12-9-20(15-27(26)39-2)29(36)33(14-13-21-18-32-24-6-4-3-5-23(21)24)25-16-28(35)34(30(25)37)22-10-7-19(17-31)8-11-22/h3-12,15,18,25,32H,13-14,16H2,1-2H3.

What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 522.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23916419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).