N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide

C16H23N3O2 — CID 123781511

IUPACN-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide
SMILESCCC1CCC(c2ccc(NC(=O)C(=O)NN)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18-15(20)16(21)19-17/h7-12H,2-6,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDBRBZZNWHLIJOH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide

N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 123781511) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID123781511
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide
SMILESCCC1CCC(c2ccc(NC(=O)C(=O)NN)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18-15(20)16(21)19-17/h7-12H,2-6,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDBRBZZNWHLIJOH-UHFFFAOYSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[4-[(2-hydrazinyl-2-oxoacetyl)amino]phenyl]cyclohexyl]acetate
CID 91058570
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N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide
CID 124505043
2-bromo-1-[4-(4-ethylcyclohexyl)phenyl]ethanone
CID 102133235
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
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N-(4-ethylcyclohexyl)-N'-(4-methoxyphenyl)oxamide
CID 124505093
N-(4-ethylcyclohexyl)-2-hydrazinyl-2-oxoacetamide
CID 61468289
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
CID 70181620
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
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CID 155735657

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide (CID 123781511) is N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide is CCC1CCC(c2ccc(NC(=O)C(=O)NN)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is DBRBZZNWHLIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18-15(20)16(21)19-17/h7-12H,2-6,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide?
N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 289.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylcyclohexyl)phenyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 123781511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).