2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide

C19H21N3O3 — CID 9086797

IUPAC2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H21N3O3/c1-13-7-9-15(10-8-13)18(24)22-21-17(23)11-12-20-19(25)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXYOZMNQXAVCMGY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide

2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 9086797) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID9086797
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H21N3O3/c1-13-7-9-15(10-8-13)18(24)22-21-17(23)11-12-20-19(25)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXYOZMNQXAVCMGY-UHFFFAOYSA-N
XLogP1.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
CID 3334492
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 9086797) is 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide is Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is XYOZMNQXAVCMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-7-9-15(10-8-13)18(24)22-21-17(23)11-12-20-19(25)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 9086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).