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

C16H24N2O3 — CID 63575926

IUPAC2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
SMILESCC1CCC(OCCOc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C16H24N2O3/c1-12-6-8-13(9-7-12)20-10-11-21-15-5-3-2-4-14(15)16(19)18-17/h2-5,12-13H,6-11,17H2,1H3,(H,18,19)
InChIKeyZQRFCFDFJDTVNX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds6

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

2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide (PubChem CID 63575926) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
PubChem CID63575926
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
SMILESCC1CCC(OCCOc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C16H24N2O3/c1-12-6-8-13(9-7-12)20-10-11-21-15-5-3-2-4-14(15)16(19)18-17/h2-5,12-13H,6-11,17H2,1H3,(H,18,19)
InChIKeyZQRFCFDFJDTVNX-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-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
2-pentoxybenzohydrazide
CID 54793215
2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332
1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone
CID 43793785
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
CID 55213700

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
The IUPAC name of 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide (CID 63575926) is 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
The canonical SMILES for 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide is CC1CCC(OCCOc2ccccc2C(=O)NN)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
The InChIKey is ZQRFCFDFJDTVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-6-8-13(9-7-12)20-10-11-21-15-5-3-2-4-14(15)16(19)18-17/h2-5,12-13H,6-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide?
2-[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 2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide is sourced from PubChem (CID 63575926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).