3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C18H23N3O3 — CID 3243568

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H23N3O3/c22-16-7-2-10-20(16)11-4-9-19-18(24)14-5-1-6-15(13-14)21-12-3-8-17(21)23/h1,5-6,13H,2-4,7-12H2,(H,19,24)
InChIKeyOWZXGAZYQRAGMI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.56
Rot. Bonds6

About 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 3243568) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID3243568
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H23N3O3/c22-16-7-2-10-20(16)11-4-9-19-18(24)14-5-1-6-15(13-14)21-12-3-8-17(21)23/h1,5-6,13H,2-4,7-12H2,(H,19,24)
InChIKeyOWZXGAZYQRAGMI-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 3243568) is 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is OWZXGAZYQRAGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16-7-2-10-20(16)11-4-9-19-18(24)14-5-1-6-15(13-14)21-12-3-8-17(21)23/h1,5-6,13H,2-4,7-12H2,(H,19,24).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 3243568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).