1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide

C21H23N3O3 — CID 17476806

IUPAC1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-14-8-9-18(15(2)10-14)21(27)23-22-20(26)17-11-19(25)24(13-17)12-16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyVPKOEBAFOYGDGY-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.11
Rot. Bonds4

About 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide

1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 17476806) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID17476806
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-14-8-9-18(15(2)10-14)21(27)23-22-20(26)17-11-19(25)24(13-17)12-16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyVPKOEBAFOYGDGY-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N'-(4-bromobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 2964324
(3S)-N'-(4-fluorobenzoyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbohydrazide
CID 2460845
N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27688936
1-benzyl-N-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 143820682
N'-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78814266
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516
[2-(2,4-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3404545
4-methyl-N'-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 41273695
(3R)-1-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2089479
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide (CID 17476806) is 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is VPKOEBAFOYGDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-8-9-18(15(2)10-14)21(27)23-22-20(26)17-11-19(25)24(13-17)12-16-6-4-3-5-7-16/h3-10,17H,11-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 365.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17476806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).