3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide

C21H23N3O3 — CID 55705699

IUPAC3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C21H23N3O3/c1-2-11-22-20(26)15-6-3-8-17(13-15)23-21(27)16-7-4-9-18(14-16)24-12-5-10-19(24)25/h3-4,6-9,13-14H,2,5,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyMNIKSARVZJLVMS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.21
Rot. Bonds6

About 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide

3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide (PubChem CID 55705699) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
PubChem CID55705699
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C21H23N3O3/c1-2-11-22-20(26)15-6-3-8-17(13-15)23-21(27)16-7-4-9-18(14-16)24-12-5-10-19(24)25/h3-4,6-9,13-14H,2,5,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyMNIKSARVZJLVMS-UHFFFAOYSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729283
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide (CID 55705699) is 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide?
The InChIKey is MNIKSARVZJLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-11-22-20(26)15-6-3-8-17(13-15)23-21(27)16-7-4-9-18(14-16)24-12-5-10-19(24)25/h3-4,6-9,13-14H,2,5,10-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide?
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55705699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).