3-(cyclobutyloxymethyl)benzohydrazide

C12H16N2O2 — CID 63570894

IUPAC3-(cyclobutyloxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COC2CCC2)c1
InChIInChI=1S/C12H16N2O2/c13-14-12(15)10-4-1-3-9(7-10)8-16-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15)
InChIKeyNCFMCLDRNUIAKX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds4

About 3-(cyclobutyloxymethyl)benzohydrazide

3-(cyclobutyloxymethyl)benzohydrazide (PubChem CID 63570894) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(cyclobutyloxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-(cyclobutyloxymethyl)benzohydrazide
PubChem CID63570894
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(cyclobutyloxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COC2CCC2)c1
InChIInChI=1S/C12H16N2O2/c13-14-12(15)10-4-1-3-9(7-10)8-16-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15)
InChIKeyNCFMCLDRNUIAKX-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
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-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
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3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
3-(oxan-2-ylmethoxymethyl)benzohydrazide
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3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
5-(cyclobutyloxymethyl)furan-2-carbohydrazide
CID 63568578
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutyloxymethyl)benzohydrazide?
The IUPAC name of 3-(cyclobutyloxymethyl)benzohydrazide (CID 63570894) is 3-(cyclobutyloxymethyl)benzohydrazide.
What is the SMILES notation for 3-(cyclobutyloxymethyl)benzohydrazide?
The canonical SMILES for 3-(cyclobutyloxymethyl)benzohydrazide is NNC(=O)c1cccc(COC2CCC2)c1.
What is the InChIKey of 3-(cyclobutyloxymethyl)benzohydrazide?
The InChIKey is NCFMCLDRNUIAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-14-12(15)10-4-1-3-9(7-10)8-16-11-5-2-6-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15).
What are the key properties of 3-(cyclobutyloxymethyl)benzohydrazide?
3-(cyclobutyloxymethyl)benzohydrazide has a molecular weight of 220.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutyloxymethyl)benzohydrazide is sourced from PubChem (CID 63570894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).