N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide

C35H40N4O3 — CID 67594205

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 67594205) has the molecular formula C35H40N4O3 and a molecular weight of 564.73 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide
• PubChem CID: 67594205
• Molecular Formula: C35H40N4O3
• Molecular Weight: 564.73 g/mol
• Exact Mass: 564.31
• IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide
• SMILES: O=C(NCCCN1CCCC1=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
• InChI: InChI=1S/C35H40N4O3/c40-31-14-8-22-39(31)23-9-19-36-35(41)34-33(29-12-4-5-13-30(29)37-34)32(26-10-2-1-3-11-26)27-15-17-28(18-16-27)42-25-24-38-20-6-7-21-38/h1-5,10-13,15-18,32,37H,6-9,14,19-25H2,(H,36,41)
• InChIKey: KFNPDOLYCHDJSP-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.73
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide (CID 67594205) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NCCCN1CCCC1=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1.

What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide?

The InChIKey is KFNPDOLYCHDJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O3/c40-31-14-8-22-39(31)23-9-19-36-35(41)34-33(29-12-4-5-13-30(29)37-34)32(26-10-2-1-3-11-26)27-15-17-28(18-16-27)42-25-24-38-20-6-7-21-38/h1-5,10-13,15-18,32,37H,6-9,14,19-25H2,(H,36,41).

What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide?

N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 564.73 g/mol, XLogP of 5.57, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[phenyl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67594205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).