2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

C22H23N3O3 — CID 8589720

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C22H23N3O3/c26-20-7-3-13-24(20)17-11-9-16(10-12-17)15-23-22(28)18-5-1-2-6-19(18)25-14-4-8-21(25)27/h1-2,5-6,9-12H,3-4,7-8,13-15H2,(H,23,28)
InChIKeyHZUKFYPMQKLDTN-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (PubChem CID 8589720) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
PubChem CID8589720
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C22H23N3O3/c26-20-7-3-13-24(20)17-11-9-16(10-12-17)15-23-22(28)18-5-1-2-6-19(18)25-14-4-8-21(25)27/h1-2,5-6,9-12H,3-4,7-8,13-15H2,(H,23,28)
InChIKeyHZUKFYPMQKLDTN-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (CID 8589720) is 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is HZUKFYPMQKLDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20-7-3-13-24(20)17-11-9-16(10-12-17)15-23-22(28)18-5-1-2-6-19(18)25-14-4-8-21(25)27/h1-2,5-6,9-12H,3-4,7-8,13-15H2,(H,23,28).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 8589720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).