3-(cyclohexylmethoxy)-4-methylbenzohydrazide

C15H22N2O2 — CID 163359298

IUPAC3-(cyclohexylmethoxy)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NN)cc1OCC1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11-7-8-13(15(18)17-16)9-14(11)19-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyCBMSUPZBLVLVIN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.56
Rot. Bonds4

About 3-(cyclohexylmethoxy)-4-methylbenzohydrazide

3-(cyclohexylmethoxy)-4-methylbenzohydrazide (PubChem CID 163359298) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-4-methylbenzohydrazide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-4-methylbenzohydrazide
PubChem CID163359298
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(cyclohexylmethoxy)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NN)cc1OCC1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11-7-8-13(15(18)17-16)9-14(11)19-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyCBMSUPZBLVLVIN-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
methyl 3-(cyclohexylmethoxy)-4-iodobenzoate
CID 162393023
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-4-methylbenzohydrazide?
The IUPAC name of 3-(cyclohexylmethoxy)-4-methylbenzohydrazide (CID 163359298) is 3-(cyclohexylmethoxy)-4-methylbenzohydrazide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-4-methylbenzohydrazide?
The canonical SMILES for 3-(cyclohexylmethoxy)-4-methylbenzohydrazide is Cc1ccc(C(=O)NN)cc1OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-4-methylbenzohydrazide?
The InChIKey is CBMSUPZBLVLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-8-13(15(18)17-16)9-14(11)19-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,16H2,1H3,(H,17,18).
What are the key properties of 3-(cyclohexylmethoxy)-4-methylbenzohydrazide?
3-(cyclohexylmethoxy)-4-methylbenzohydrazide has a molecular weight of 262.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-4-methylbenzohydrazide is sourced from PubChem (CID 163359298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).