N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

C20H23N3O3 — CID 46520523

IUPACN-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C20H23N3O3/c1-13-8-10-16(11-9-13)18(21-15(3)24)12-19(25)22-23-20(26)17-7-5-4-6-14(17)2/h4-11,18H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMTSVYEXWOKOEKL-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.33
Rot. Bonds5

About N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 46520523) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID46520523
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C20H23N3O3/c1-13-8-10-16(11-9-13)18(21-15(3)24)12-19(25)22-23-20(26)17-7-5-4-6-14(17)2/h4-11,18H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMTSVYEXWOKOEKL-UHFFFAOYSA-N
XLogP2.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide 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-(5-bromothiophene-2-carbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 134049284
N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 9276070
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 51195347
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[(1R)-3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7999402
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
CID 56573015
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 46520523) is N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1.
What is the InChIKey of N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is MTSVYEXWOKOEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-10-16(11-9-13)18(21-15(3)24)12-19(25)22-23-20(26)17-7-5-4-6-14(17)2/h4-11,18H,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 46520523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).