2,2-dimethyl-3-phenoxypropanehydrazide

C11H16N2O2 — CID 79626313

IUPAC2,2-dimethyl-3-phenoxypropanehydrazide
SMILESCC(C)(COc1ccccc1)C(=O)NN
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)13-12)8-15-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,13,14)
InChIKeyMLKYMONYMFOLTG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.08
Rot. Bonds4

About 2,2-dimethyl-3-phenoxypropanehydrazide

2,2-dimethyl-3-phenoxypropanehydrazide (PubChem CID 79626313) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenoxypropanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-phenoxypropanehydrazide
PubChem CID79626313
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,2-dimethyl-3-phenoxypropanehydrazide
SMILESCC(C)(COc1ccccc1)C(=O)NN
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)13-12)8-15-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,13,14)
InChIKeyMLKYMONYMFOLTG-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.08
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-(4-phenylphenoxy)propanehydrazide
CID 79629052
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
CID 61035217
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79627308
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79629145
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
2-methyl-3-phenoxy-2-phenylpropanoic acid
CID 174875676
3-(4-iodophenoxy)-2,2-dimethylpropanoic acid
CID 79622093

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenoxypropanehydrazide?
The IUPAC name of 2,2-dimethyl-3-phenoxypropanehydrazide (CID 79626313) is 2,2-dimethyl-3-phenoxypropanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-phenoxypropanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-phenoxypropanehydrazide is CC(C)(COc1ccccc1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-phenoxypropanehydrazide?
The InChIKey is MLKYMONYMFOLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,10(14)13-12)8-15-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-phenoxypropanehydrazide?
2,2-dimethyl-3-phenoxypropanehydrazide has a molecular weight of 208.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenoxypropanehydrazide is sourced from PubChem (CID 79626313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).