3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide

C13H17N3O2 — CID 168699354

IUPAC3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(N2CC(N)CC2=O)c1
InChIInChI=1S/C13H17N3O2/c1-15(2)13(18)9-4-3-5-11(6-9)16-8-10(14)7-12(16)17/h3-6,10H,7-8,14H2,1-2H3
InChIKeyCZYISOVWONHFGT-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.45
Rot. Bonds2

About 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide

3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide (PubChem CID 168699354) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
PubChem CID168699354
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(N2CC(N)CC2=O)c1
InChIInChI=1S/C13H17N3O2/c1-15(2)13(18)9-4-3-5-11(6-9)16-8-10(14)7-12(16)17/h3-6,10H,7-8,14H2,1-2H3
InChIKeyCZYISOVWONHFGT-UHFFFAOYSA-N
XLogP0.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168503934
methyl 1-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693233
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide (CID 168699354) is 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(N2CC(N)CC2=O)c1.
What is the InChIKey of 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
The InChIKey is CZYISOVWONHFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)13(18)9-4-3-5-11(6-9)16-8-10(14)7-12(16)17/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of 3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide?
3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 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,N-dimethylbenzamide is sourced from PubChem (CID 168699354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).