N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide

C20H23N3O4 — CID 9086478

IUPACN-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-3-27-16-10-8-15(9-11-16)19(25)23-22-18(24)12-13-21-20(26)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyXAXPACXZQRHAQJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.97
Rot. Bonds7

About N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide

N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide (PubChem CID 9086478) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
PubChem CID9086478
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-3-27-16-10-8-15(9-11-16)19(25)23-22-18(24)12-13-21-20(26)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyXAXPACXZQRHAQJ-UHFFFAOYSA-N
XLogP1.97
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide 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

2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
CID 9220935
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
CID 113060837
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide (CID 9086478) is N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide is CCOc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is XAXPACXZQRHAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-27-16-10-8-15(9-11-16)19(25)23-22-18(24)12-13-21-20(26)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 9086478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).