2-(4-tert-butylphenoxy)acetohydrazide

C12H18N2O2 — CID 767088

IUPAC2-(4-tert-butylphenoxy)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)9-4-6-10(7-5-9)16-8-11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyNFKRKACSPUJPKF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-tert-butylphenoxy)acetohydrazide

2-(4-tert-butylphenoxy)acetohydrazide (PubChem CID 767088) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)acetohydrazide
PubChem CID767088
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-tert-butylphenoxy)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)9-4-6-10(7-5-9)16-8-11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyNFKRKACSPUJPKF-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)acetohydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)acetohydrazide (CID 767088) is 2-(4-tert-butylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)acetohydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NN)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)acetohydrazide?
The InChIKey is NFKRKACSPUJPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)9-4-6-10(7-5-9)16-8-11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-tert-butylphenoxy)acetohydrazide?
2-(4-tert-butylphenoxy)acetohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)acetohydrazide is sourced from PubChem (CID 767088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).