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

C₂₁H₂₃N₃O₃ — CID 17476806

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 Name: 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
• PubChem CID: 17476806
• Molecular Formula: C₂₁H₂₃N₃O₃
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 1-benzyl-N'-(2,4-dimethylbenzoyl)-5-oxopyrrolidine-3-carbohydrazide
• SMILES: Cc1ccc(C(=O)NNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1
• InChI: 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)
• InChIKey: VPKOEBAFOYGDGY-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 17476806 — identifiers, structure, computed properties (public domain)

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