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

C20H23N3O3 — CID 9084877

IUPACN-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-17(15(3)12-13)20(26)23-22-18(24)10-11-21-19(25)16-7-5-4-6-14(16)2/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyDMKXSDTUJPNNPD-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.19
Rot. Bonds5

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

N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide (PubChem CID 9084877) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
PubChem CID9084877
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-17(15(3)12-13)20(26)23-22-18(24)10-11-21-19(25)16-7-5-4-6-14(16)2/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyDMKXSDTUJPNNPD-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide (CID 9084877) is N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide is Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is DMKXSDTUJPNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-9-17(15(3)12-13)20(26)23-22-18(24)10-11-21-19(25)16-7-5-4-6-14(16)2/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 9084877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).