3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide

C17H28N2O2 — CID 79629145

IUPAC3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
SMILESCC(C)c1cccc(C(C)C)c1OCC(C)(C)C(=O)NN
InChIInChI=1S/C17H28N2O2/c1-11(2)13-8-7-9-14(12(3)4)15(13)21-10-17(5,6)16(20)19-18/h7-9,11-12H,10,18H2,1-6H3,(H,19,20)
InChIKeyLEEYBPBLKKLFLN-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.33
Rot. Bonds6

About 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide

3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide (PubChem CID 79629145) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
PubChem CID79629145
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
SMILESCC(C)c1cccc(C(C)C)c1OCC(C)(C)C(=O)NN
InChIInChI=1S/C17H28N2O2/c1-11(2)13-8-7-9-14(12(3)4)15(13)21-10-17(5,6)16(20)19-18/h7-9,11-12H,10,18H2,1-6H3,(H,19,20)
InChIKeyLEEYBPBLKKLFLN-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.33
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

2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
CID 79629052
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-[2,6-di(propan-2-yl)phenoxy]butan-2-one
CID 62039580
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
3-butan-2-yloxy-2,2-dimethylpropanehydrazide
CID 79628507
2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid
CID 11267266
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide (CID 79629145) is 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide is CC(C)c1cccc(C(C)C)c1OCC(C)(C)C(=O)NN.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide?
The InChIKey is LEEYBPBLKKLFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)13-8-7-9-14(12(3)4)15(13)21-10-17(5,6)16(20)19-18/h7-9,11-12H,10,18H2,1-6H3,(H,19,20).
What are the key properties of 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide?
3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide has a molecular weight of 292.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79629145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).