4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide

C16H24N2O3 — CID 63570015

IUPAC4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCOCC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3/c17-18-16(19)14-6-8-15(9-7-14)21-11-10-20-12-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12,17H2,(H,18,19)
InChIKeyZXTQCEHDEBBMEL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.27
Rot. Bonds7

About 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide

4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide (PubChem CID 63570015) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
PubChem CID63570015
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCOCC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O3/c17-18-16(19)14-6-8-15(9-7-14)21-11-10-20-12-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12,17H2,(H,18,19)
InChIKeyZXTQCEHDEBBMEL-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.27
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

4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
4-[2-(cyclopentylmethylsulfanyl)ethoxy]benzohydrazide
CID 63589751
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-[3-(cyclohexylmethoxy)propoxy]benzenecarbothioamide
CID 62383372
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-(2-pent-4-enoxyethoxy)benzohydrazide
CID 79114465
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 66324411
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751
3-(cyclohexylmethoxy)-4-methylbenzohydrazide
CID 163359298
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide (CID 63570015) is 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCOCC2CCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide?
The InChIKey is ZXTQCEHDEBBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-18-16(19)14-6-8-15(9-7-14)21-11-10-20-12-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12,17H2,(H,18,19).
What are the key properties of 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide?
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide is sourced from PubChem (CID 63570015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).