2-(4-methylpentan-2-yloxymethyl)benzohydrazide

C14H22N2O2 — CID 63574397

IUPAC2-(4-methylpentan-2-yloxymethyl)benzohydrazide
SMILESCC(C)CC(C)OCc1ccccc1C(=O)NN
InChIInChI=1S/C14H22N2O2/c1-10(2)8-11(3)18-9-12-6-4-5-7-13(12)14(17)16-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyWBFRQRLRPULBHN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds6

About 2-(4-methylpentan-2-yloxymethyl)benzohydrazide

2-(4-methylpentan-2-yloxymethyl)benzohydrazide (PubChem CID 63574397) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxymethyl)benzohydrazide.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxymethyl)benzohydrazide
PubChem CID63574397
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(4-methylpentan-2-yloxymethyl)benzohydrazide
SMILESCC(C)CC(C)OCc1ccccc1C(=O)NN
InChIInChI=1S/C14H22N2O2/c1-10(2)8-11(3)18-9-12-6-4-5-7-13(12)14(17)16-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyWBFRQRLRPULBHN-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
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-(1-phenylethoxymethyl)benzohydrazide
CID 63576452
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-fluoro-3-(4-methylpentan-2-yloxymethyl)benzoic acid
CID 107119679
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
3-(4-methylpentan-2-yloxymethyl)-1-benzothiophene-2-carbohydrazide
CID 63576974
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103771486
2-propylbenzohydrazide
CID 140653675
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
2-[2-tri(propan-2-yl)silyloxyethyl]benzohydrazide
CID 177468032

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxymethyl)benzohydrazide?
The IUPAC name of 2-(4-methylpentan-2-yloxymethyl)benzohydrazide (CID 63574397) is 2-(4-methylpentan-2-yloxymethyl)benzohydrazide.
What is the SMILES notation for 2-(4-methylpentan-2-yloxymethyl)benzohydrazide?
The canonical SMILES for 2-(4-methylpentan-2-yloxymethyl)benzohydrazide is CC(C)CC(C)OCc1ccccc1C(=O)NN.
What is the InChIKey of 2-(4-methylpentan-2-yloxymethyl)benzohydrazide?
The InChIKey is WBFRQRLRPULBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-11(3)18-9-12-6-4-5-7-13(12)14(17)16-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-methylpentan-2-yloxymethyl)benzohydrazide?
2-(4-methylpentan-2-yloxymethyl)benzohydrazide has a molecular weight of 250.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yloxymethyl)benzohydrazide is sourced from PubChem (CID 63574397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).