3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide

C16H26N2O2 — CID 79627985

IUPAC3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
SMILESCc1ccc(OCC(C)(C)C(=O)NN)c(C(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-8-13(12(9-11)15(2,3)4)20-10-16(5,6)14(19)18-17/h7-9H,10,17H2,1-6H3,(H,18,19)
InChIKeySFRXVYGBZFIXKD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds4

About 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide

3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide (PubChem CID 79627985) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
PubChem CID79627985
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide
SMILESCc1ccc(OCC(C)(C)C(=O)NN)c(C(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-8-13(12(9-11)15(2,3)4)20-10-16(5,6)14(19)18-17/h7-9H,10,17H2,1-6H3,(H,18,19)
InChIKeySFRXVYGBZFIXKD-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
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

3-(2-tert-butyl-4-methylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804096
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
(2-bromo-4-methylphenyl) 2-(2-tert-butyl-4-methylphenoxy)acetate
CID 19179152
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
(2-tert-butyl-4-methylphenyl) 2-methoxyacetate
CID 19184240
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-(4-methylphenyl)urea
CID 108877472
1-(2-tert-butyl-4-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66336391
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
CID 64813786

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide (CID 79627985) is 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide is Cc1ccc(OCC(C)(C)C(=O)NN)c(C(C)(C)C)c1.
What is the InChIKey of 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide?
The InChIKey is SFRXVYGBZFIXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-8-13(12(9-11)15(2,3)4)20-10-16(5,6)14(19)18-17/h7-9H,10,17H2,1-6H3,(H,18,19).
What are the key properties of 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide?
3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide has a molecular weight of 278.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-methylphenoxy)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79627985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).