2-(cyclobutyloxymethyl)benzohydrazide

C12H16N2O2 — CID 63568933

IUPAC2-(cyclobutyloxymethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1COC1CCC1
InChIInChI=1S/C12H16N2O2/c13-14-12(15)11-7-2-1-4-9(11)8-16-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8,13H2,(H,14,15)
InChIKeyQSHIYRCGGQLIHK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds4

About 2-(cyclobutyloxymethyl)benzohydrazide

2-(cyclobutyloxymethyl)benzohydrazide (PubChem CID 63568933) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclobutyloxymethyl)benzohydrazide.

Molecular Properties

Compound Name2-(cyclobutyloxymethyl)benzohydrazide
PubChem CID63568933
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclobutyloxymethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1COC1CCC1
InChIInChI=1S/C12H16N2O2/c13-14-12(15)11-7-2-1-4-9(11)8-16-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8,13H2,(H,14,15)
InChIKeyQSHIYRCGGQLIHK-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

2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
2-(cyclopropylmethoxymethyl)benzohydrazide
CID 63575207
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetohydrazide
CID 115465265
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
5-(cyclobutyloxymethyl)furan-2-carbohydrazide
CID 63568578
2-(4-methylpentan-2-yloxymethyl)benzohydrazide
CID 63574397
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutyloxymethyl)benzohydrazide?
The IUPAC name of 2-(cyclobutyloxymethyl)benzohydrazide (CID 63568933) is 2-(cyclobutyloxymethyl)benzohydrazide.
What is the SMILES notation for 2-(cyclobutyloxymethyl)benzohydrazide?
The canonical SMILES for 2-(cyclobutyloxymethyl)benzohydrazide is NNC(=O)c1ccccc1COC1CCC1.
What is the InChIKey of 2-(cyclobutyloxymethyl)benzohydrazide?
The InChIKey is QSHIYRCGGQLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-14-12(15)11-7-2-1-4-9(11)8-16-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8,13H2,(H,14,15).
What are the key properties of 2-(cyclobutyloxymethyl)benzohydrazide?
2-(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 2-(cyclobutyloxymethyl)benzohydrazide is sourced from PubChem (CID 63568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).