3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide

C13H20N2O3 — CID 79627840

IUPAC3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
SMILESCOCc1cccc(OCC(C)(C)C(=O)NN)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,12(16)15-14)9-18-11-6-4-5-10(7-11)8-17-3/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyWHSHHCLEZQUCMY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds6

About 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide

3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide (PubChem CID 79627840) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
PubChem CID79627840
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
SMILESCOCc1cccc(OCC(C)(C)C(=O)NN)c1
InChIInChI=1S/C13H20N2O3/c1-13(2,12(16)15-14)9-18-11-6-4-5-10(7-11)8-17-3/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyWHSHHCLEZQUCMY-UHFFFAOYSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
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

3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
1-(3-bromo-2,2-dimethylpropoxy)-3-(methoxymethyl)benzene
CID 65000197
methyl 2,2-dimethyl-3-[3-(methylaminomethyl)phenoxy]propanoate
CID 79629983
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
CID 63984047
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
5-[[3-(methoxymethyl)phenoxy]methyl]-3-methylfuran-2-carbohydrazide
CID 63985457
ethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]propanoate
CID 63984055

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide (CID 79627840) is 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide is COCc1cccc(OCC(C)(C)C(=O)NN)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide?
The InChIKey is WHSHHCLEZQUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,12(16)15-14)9-18-11-6-4-5-10(7-11)8-17-3/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide?
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79627840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).