2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide

C13H20N2O3 — CID 63576141

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NN)c(C(C)(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)10-7-9(17-4)5-6-11(10)18-8-12(16)15-14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyVEYRQNUYDHUSSA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.36
Rot. Bonds4

About 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide

2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide (PubChem CID 63576141) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
PubChem CID63576141
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NN)c(C(C)(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)10-7-9(17-4)5-6-11(10)18-8-12(16)15-14/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyVEYRQNUYDHUSSA-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270938
butyl 4-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270961
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide
CID 116845452
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746517
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide (CID 63576141) is 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide is COc1ccc(OCC(=O)NN)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide?
The InChIKey is VEYRQNUYDHUSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)10-7-9(17-4)5-6-11(10)18-8-12(16)15-14/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide?
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 63576141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).