3-methyl-2-(3-methylphenoxy)butanehydrazide

C12H18N2O2 — CID 63575822

IUPAC3-methyl-2-(3-methylphenoxy)butanehydrazide
SMILESCc1cccc(OC(C(=O)NN)C(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)11(12(15)14-13)16-10-6-4-5-9(3)7-10/h4-8,11H,13H2,1-3H3,(H,14,15)
InChIKeyJQHJUUPQDBVGKU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds4

About 3-methyl-2-(3-methylphenoxy)butanehydrazide

3-methyl-2-(3-methylphenoxy)butanehydrazide (PubChem CID 63575822) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-2-(3-methylphenoxy)butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-(3-methylphenoxy)butanehydrazide
PubChem CID63575822
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-methyl-2-(3-methylphenoxy)butanehydrazide
SMILESCc1cccc(OC(C(=O)NN)C(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)11(12(15)14-13)16-10-6-4-5-9(3)7-10/h4-8,11H,13H2,1-3H3,(H,14,15)
InChIKeyJQHJUUPQDBVGKU-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
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-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(3-ethoxyphenoxy)-3-methylbutanehydrazide
CID 63569478
3-methyl-2-(3-methyl-4-nitrophenoxy)butanehydrazide
CID 63574587
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
dimethyl 2-(3-methylphenoxy)propanedioate
CID 94687292
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151
3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylphenoxy)butanehydrazide?
The IUPAC name of 3-methyl-2-(3-methylphenoxy)butanehydrazide (CID 63575822) is 3-methyl-2-(3-methylphenoxy)butanehydrazide.
What is the SMILES notation for 3-methyl-2-(3-methylphenoxy)butanehydrazide?
The canonical SMILES for 3-methyl-2-(3-methylphenoxy)butanehydrazide is Cc1cccc(OC(C(=O)NN)C(C)C)c1.
What is the InChIKey of 3-methyl-2-(3-methylphenoxy)butanehydrazide?
The InChIKey is JQHJUUPQDBVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)11(12(15)14-13)16-10-6-4-5-9(3)7-10/h4-8,11H,13H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-(3-methylphenoxy)butanehydrazide?
3-methyl-2-(3-methylphenoxy)butanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylphenoxy)butanehydrazide is sourced from PubChem (CID 63575822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).