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

C15H20N2O2 — CID 32745199

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-2-9-16-15(19)13-7-5-12(6-8-13)11-17-10-3-4-14(17)18/h5-8H,2-4,9-11H2,1H3,(H,16,19)
InChIKeyRUYSVAVDBQFELV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds5

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

4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide (PubChem CID 32745199) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
PubChem CID32745199
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-2-9-16-15(19)13-7-5-12(6-8-13)11-17-10-3-4-14(17)18/h5-8H,2-4,9-11H2,1H3,(H,16,19)
InChIKeyRUYSVAVDBQFELV-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide (CID 32745199) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide is CCCNC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide?
The InChIKey is RUYSVAVDBQFELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-9-16-15(19)13-7-5-12(6-8-13)11-17-10-3-4-14(17)18/h5-8H,2-4,9-11H2,1H3,(H,16,19).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 32745199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).