N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide

C19H28N2O2 — CID 9275952

IUPACN'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCCC2CCCCC2)c(C)c1
InChIInChI=1S/C19H28N2O2/c1-14-11-12-17(15(2)13-14)19(23)21-20-18(22)10-6-9-16-7-4-3-5-8-16/h11-13,16H,3-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHFHBNLRTQOZJDW-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.82
Rot. Bonds5

About N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide

N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide (PubChem CID 9275952) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
PubChem CID9275952
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCCC2CCCCC2)c(C)c1
InChIInChI=1S/C19H28N2O2/c1-14-11-12-17(15(2)13-14)19(23)21-20-18(22)10-6-9-16-7-4-3-5-8-16/h11-13,16H,3-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHFHBNLRTQOZJDW-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-cyclohexylbutanoyl)-4-fluorobenzohydrazide
CID 9340834
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
4-cyclohexyl-N'-[2-(2-methylphenoxy)acetyl]butanehydrazide
CID 9470008
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
2,4-dimethyl-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 9084836
N-(2-cyclopentylethyl)-4-hydroxy-2-methylbenzamide
CID 103865170
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
1-(3-amino-4-methylphenyl)-4-cyclohexylbutan-1-one
CID 10491537

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide (CID 9275952) is N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CCCC2CCCCC2)c(C)c1.
What is the InChIKey of N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide?
The InChIKey is HFHBNLRTQOZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-11-12-17(15(2)13-14)19(23)21-20-18(22)10-6-9-16-7-4-3-5-8-16/h11-13,16H,3-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide?
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide has a molecular weight of 316.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9275952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).