4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide

C16H24N2O3 — CID 63575751

IUPAC4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
SMILESCC1CCC(OCCOc2ccc(C(=O)NN)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-12-2-6-14(7-3-12)20-10-11-21-15-8-4-13(5-9-15)16(19)18-17/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H,18,19)
InChIKeyFQNITZHHLIAVLP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds6

About 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide

4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide (PubChem CID 63575751) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
PubChem CID63575751
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
SMILESCC1CCC(OCCOc2ccc(C(=O)NN)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-12-2-6-14(7-3-12)20-10-11-21-15-8-4-13(5-9-15)16(19)18-17/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H,18,19)
InChIKeyFQNITZHHLIAVLP-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-[3-(4-methylcyclohexyl)oxypropoxy]benzenecarbothioamide
CID 43291210
4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
CID 63625792
4-pentoxybenzohydrazide
CID 2727702
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
The IUPAC name of 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide (CID 63575751) is 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide is CC1CCC(OCCOc2ccc(C(=O)NN)cc2)CC1.
What is the InChIKey of 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
The InChIKey is FQNITZHHLIAVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-2-6-14(7-3-12)20-10-11-21-15-8-4-13(5-9-15)16(19)18-17/h4-5,8-9,12,14H,2-3,6-7,10-11,17H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide is sourced from PubChem (CID 63575751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).