3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide

C14H19N3O2 — CID 168699250

IUPAC3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(N2CC(N)CC2=O)c1
InChIInChI=1S/C14H19N3O2/c1-3-16-14(19)10-5-4-9(2)12(6-10)17-8-11(15)7-13(17)18/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,19)
InChIKeyORGOLXJWFBAFIK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.81
Rot. Bonds3

About 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide

3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide (PubChem CID 168699250) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide
PubChem CID168699250
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(N2CC(N)CC2=O)c1
InChIInChI=1S/C14H19N3O2/c1-3-16-14(19)10-5-4-9(2)12(6-10)17-8-11(15)7-13(17)18/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,19)
InChIKeyORGOLXJWFBAFIK-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
N-ethyl-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzamide
CID 168662107
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
ethyl 1-(5-ethoxycarbonyl-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874034
3-(4-amino-2-oxopyrrolidin-1-yl)-4-methoxycarbonylbenzoic acid
CID 168699449
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
CID 168659765
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide
CID 82990100
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696156
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide (CID 168699250) is 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(N2CC(N)CC2=O)c1.
What is the InChIKey of 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide?
The InChIKey is ORGOLXJWFBAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16-14(19)10-5-4-9(2)12(6-10)17-8-11(15)7-13(17)18/h4-6,11H,3,7-8,15H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide?
3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-oxopyrrolidin-1-yl)-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 168699250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).