3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide

C12H18N2O2 — CID 63574676

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
SMILESCC(C)(C)OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-8-9-5-4-6-10(7-9)11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyLKPDLDJGTNNRSC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.61
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide

3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide (PubChem CID 63574676) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
PubChem CID63574676
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
SMILESCC(C)(C)OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-8-9-5-4-6-10(7-9)11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyLKPDLDJGTNNRSC-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.61
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-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
CID 106668386
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CID 63576608
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzohydrazide
CID 113476702
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide (CID 63574676) is 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide is CC(C)(C)OCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide?
The InChIKey is LKPDLDJGTNNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-8-9-5-4-6-10(7-9)11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide?
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide is sourced from PubChem (CID 63574676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).