2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide

C14H22N2O3 — CID 116845452

IUPAC2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide
SMILESCOc1ccc(COCC(=O)NN)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11-7-10(5-6-12(11)18-4)8-19-9-13(17)16-15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyWJRWEONDHRYVFR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds5

About 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide

2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide (PubChem CID 116845452) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide.

Molecular Properties

Compound Name2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide
PubChem CID116845452
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide
SMILESCOc1ccc(COCC(=O)NN)cc1C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11-7-10(5-6-12(11)18-4)8-19-9-13(17)16-15/h5-7H,8-9,15H2,1-4H3,(H,16,17)
InChIKeyWJRWEONDHRYVFR-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
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-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
CID 96676289
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846729
2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 21199201
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
2-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]acetohydrazide
CID 116845495
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide?
The IUPAC name of 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide (CID 116845452) is 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide.
What is the SMILES notation for 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide?
The canonical SMILES for 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide is COc1ccc(COCC(=O)NN)cc1C(C)(C)C.
What is the InChIKey of 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide?
The InChIKey is WJRWEONDHRYVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)11-7-10(5-6-12(11)18-4)8-19-9-13(17)16-15/h5-7H,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide?
2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide has a molecular weight of 266.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-4-methoxyphenyl)methoxy]acetohydrazide is sourced from PubChem (CID 116845452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).