2-(3-ethylphenoxy)-N'-methylacetohydrazide

C11H16N2O2 — CID 116820670

IUPAC2-(3-ethylphenoxy)-N'-methylacetohydrazide
SMILESCCc1cccc(OCC(=O)NNC)c1
InChIInChI=1S/C11H16N2O2/c1-3-9-5-4-6-10(7-9)15-8-11(14)13-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyOXGHWTGUQCDBIF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.88
Rot. Bonds5

About 2-(3-ethylphenoxy)-N'-methylacetohydrazide

2-(3-ethylphenoxy)-N'-methylacetohydrazide (PubChem CID 116820670) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N'-methylacetohydrazide
PubChem CID116820670
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3-ethylphenoxy)-N'-methylacetohydrazide
SMILESCCc1cccc(OCC(=O)NNC)c1
InChIInChI=1S/C11H16N2O2/c1-3-9-5-4-6-10(7-9)15-8-11(14)13-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyOXGHWTGUQCDBIF-UHFFFAOYSA-N
XLogP0.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N'-methylacetohydrazide?
The IUPAC name of 2-(3-ethylphenoxy)-N'-methylacetohydrazide (CID 116820670) is 2-(3-ethylphenoxy)-N'-methylacetohydrazide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N'-methylacetohydrazide?
The canonical SMILES for 2-(3-ethylphenoxy)-N'-methylacetohydrazide is CCc1cccc(OCC(=O)NNC)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N'-methylacetohydrazide?
The InChIKey is OXGHWTGUQCDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-9-5-4-6-10(7-9)15-8-11(14)13-12-2/h4-7,12H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-ethylphenoxy)-N'-methylacetohydrazide?
2-(3-ethylphenoxy)-N'-methylacetohydrazide has a molecular weight of 208.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N'-methylacetohydrazide is sourced from PubChem (CID 116820670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).