N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C29H34N4O3 — CID 17204425

About N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17204425) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 17204425
• Molecular Formula: C29H34N4O3
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.26
• IUPAC Name: N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1ccc2[nH]cc(CCN3CC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)CC3=O)c2c1
• InChI: InChI=1S/C29H34N4O3/c1-19-11-12-25-24(15-19)20(17-30-25)13-14-33-18-21(16-27(33)34)28(35)32-26-10-6-5-9-23(26)29(36)31-22-7-3-2-4-8-22/h5-6,9-12,15,17,21-22,30H,2-4,7-8,13-14,16,18H2,1H3,(H,31,36)(H,32,35)
• InChIKey: XWADCUGJPLJVMJ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 94.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 17204425) is N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc2[nH]cc(CCN3CC(C(=O)Nc4ccccc4C(=O)NC4CCCCC4)CC3=O)c2c1.

What is the InChIKey of N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is XWADCUGJPLJVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-19-11-12-25-24(15-19)20(17-30-25)13-14-33-18-21(16-27(33)34)28(35)32-26-10-6-5-9-23(26)29(36)31-22-7-3-2-4-8-22/h5-6,9-12,15,17,21-22,30H,2-4,7-8,13-14,16,18H2,1H3,(H,31,36)(H,32,35).

What are the key properties of N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?

N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17204425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).