4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide

C19H28N4O3 — CID 4981107

IUPAC4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C19H28N4O3/c1-13-8-9-16(12-14(13)2)20-17(24)10-11-18(25)22-23-19(26)21-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyNIWFSRHRTQRTCY-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.69
Rot. Bonds5

About 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide

4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 4981107) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID4981107
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C19H28N4O3/c1-13-8-9-16(12-14(13)2)20-17(24)10-11-18(25)22-23-19(26)21-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyNIWFSRHRTQRTCY-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

N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]cyclohexanecarboxamide
CID 4507766
2-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5130314
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
CID 131919860
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide (CID 4981107) is 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)cc1C.
What is the InChIKey of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is NIWFSRHRTQRTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-8-9-16(12-14(13)2)20-17(24)10-11-18(25)22-23-19(26)21-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26).
What are the key properties of 4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide?
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-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-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 4981107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).