3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C18H25N3O2 — CID 3241523

IUPAC3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H25N3O2/c22-17-8-4-13-21(17)16-7-3-6-15(14-16)18(23)19-9-5-12-20-10-1-2-11-20/h3,6-7,14H,1-2,4-5,8-13H2,(H,19,23)
InChIKeyDJJZXCFGYUQBPP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.03
Rot. Bonds6

About 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 3241523) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID3241523
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H25N3O2/c22-17-8-4-13-21(17)16-7-3-6-15(14-16)18(23)19-9-5-12-20-10-1-2-11-20/h3,6-7,14H,1-2,4-5,8-13H2,(H,19,23)
InChIKeyDJJZXCFGYUQBPP-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.03
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-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 3241523) is 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is DJJZXCFGYUQBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-8-4-13-21(17)16-7-3-6-15(14-16)18(23)19-9-5-12-20-10-1-2-11-20/h3,6-7,14H,1-2,4-5,8-13H2,(H,19,23).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.03, 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-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 3241523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).