4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide

C13H17N3O2 — CID 168699248

IUPAC4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-2-15-13(18)9-3-5-11(6-4-9)16-8-10(14)7-12(16)17/h3-6,10H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyGTWWKONMADGOAG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.50
Rot. Bonds3

About 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide

4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide (PubChem CID 168699248) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
PubChem CID168699248
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CC(N)CC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-2-15-13(18)9-3-5-11(6-4-9)16-8-10(14)7-12(16)17/h3-6,10H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyGTWWKONMADGOAG-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide
CID 168699250
butyl 4-(4-amino-2-oxopyrrolidin-1-yl)benzoate
CID 168699215
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691772
N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
CID 168709975
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670
ethyl (E)-3-[4-(4-amino-2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 168699254
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide?
The IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide (CID 168699248) is 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide?
The canonical SMILES for 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N2CC(N)CC2=O)cc1.
What is the InChIKey of 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide?
The InChIKey is GTWWKONMADGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-15-13(18)9-3-5-11(6-4-9)16-8-10(14)7-12(16)17/h3-6,10H,2,7-8,14H2,1H3,(H,15,18).
What are the key properties of 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide?
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide is sourced from PubChem (CID 168699248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).