2-(4-tert-butylphenoxy)propanehydrazide

C13H20N2O2 — CID 4987864

IUPAC2-(4-tert-butylphenoxy)propanehydrazide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-9(12(16)15-14)17-11-7-5-10(6-8-11)13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyBZNCKHGNOQBBRO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-tert-butylphenoxy)propanehydrazide

2-(4-tert-butylphenoxy)propanehydrazide (PubChem CID 4987864) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)propanehydrazide
PubChem CID4987864
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-tert-butylphenoxy)propanehydrazide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NN
InChIInChI=1S/C13H20N2O2/c1-9(12(16)15-14)17-11-7-5-10(6-8-11)13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyBZNCKHGNOQBBRO-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.74
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)propanehydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)propanehydrazide (CID 4987864) is 2-(4-tert-butylphenoxy)propanehydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)propanehydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)propanehydrazide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NN.
What is the InChIKey of 2-(4-tert-butylphenoxy)propanehydrazide?
The InChIKey is BZNCKHGNOQBBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(12(16)15-14)17-11-7-5-10(6-8-11)13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-tert-butylphenoxy)propanehydrazide?
2-(4-tert-butylphenoxy)propanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.74, 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)propanehydrazide is sourced from PubChem (CID 4987864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).