5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C24H27N3O3 — CID 46277076

About 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 46277076) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• PubChem CID: 46277076
• Molecular Formula: C24H27N3O3
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.21
• IUPAC Name: 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• SMILES: COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCc1ccc(C)cc1)n2C
• InChI: InChI=1S/C24H27N3O3/c1-16-6-8-17(9-7-16)12-13-25-24(29)23-22(27-14-4-5-21(27)28)19-15-18(30-3)10-11-20(19)26(23)2/h6-11,15H,4-5,12-14H2,1-3H3,(H,25,29)
• InChIKey: ADKGETIFDCVDTK-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The IUPAC name of 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 46277076) is 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

What is the SMILES notation for 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The canonical SMILES for 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCc1ccc(C)cc1)n2C.

What is the InChIKey of 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The InChIKey is ADKGETIFDCVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-6-8-17(9-7-16)12-13-25-24(29)23-22(27-14-4-5-21(27)28)19-15-18(30-3)10-11-20(19)26(23)2/h6-11,15H,4-5,12-14H2,1-3H3,(H,25,29).

What are the key properties of 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 46277076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).