4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

C19H28N4O3 — CID 2214100

IUPAC4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C19H28N4O3/c1-13-8-9-16(14(2)12-13)21-17(24)10-11-18(25)22-23-19(26)20-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,21,24)(H,22,25)(H2,20,23,26)
InChIKeyYMYWAMHBKKDERB-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.69
Rot. Bonds5

About 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide

4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 2214100) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
PubChem CID2214100
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C19H28N4O3/c1-13-8-9-16(14(2)12-13)21-17(24)10-11-18(25)22-23-19(26)20-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,21,24)(H,22,25)(H2,20,23,26)
InChIKeyYMYWAMHBKKDERB-UHFFFAOYSA-N
XLogP2.69
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(anilinocarbonothioyl)hydrazino]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 3140676
N-cyclohexyl-2-[4-(isobutyrylamino)benzoyl]hydrazinecarboxamide
CID 1263369
4-[2-(anilinocarbothioyl)hydrazino]-N-benzyl-4-oxobutanamide
CID 1581763
N-(2,4-dimethylphenyl)-4-oxo-4-(2-propanoylhydrazinyl)butanamide
CID 3140685
N-(2,4-dimethylphenyl)-4-oxo-4-[2-(3-phenylpropanoyl)hydrazino]butanamide
CID 1787579
N-(2,4-dimethylphenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazino]-4-oxobutanamide
CID 2237330
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(2,4-dimethyl-phenyl)-amide]
CID 3216082
N-(3-methyl-4-((5-(4-(2-oxopyrrolidin-1-yl)phenyl)-1H-pyrazol-3-yl)amino)phenyl)acetamide
CID 166594328
N-(2,4-dimethylphenyl)-4-{2-[(4-fluoroanilino)carbothioyl]hydrazino}-4-oxobutanamide
CID 1632366
N-(3-chlorophenyl)-2-{4-[(2,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazinecarboxamide
CID 2062645
1-Acetamido-3-benzyl-1-phenylurea
CID 10802921
N'-(2,4-dimethylphenyl)-N-methylbutanediamide
CID 1356428

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide (CID 2214100) is 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is YMYWAMHBKKDERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-8-9-16(14(2)12-13)21-17(24)10-11-18(25)22-23-19(26)20-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,21,24)(H,22,25)(H2,20,23,26).
What are the key properties of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide?
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 360.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(2,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2214100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).