2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide

C11H16N2O2 — CID 116820679

IUPAC2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
SMILESCNNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C11H16N2O2/c1-8-5-4-6-9(2)11(8)15-7-10(14)13-12-3/h4-6,12H,7H2,1-3H3,(H,13,14)
InChIKeyLFMLUAYBOOBAFD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.93
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide

2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide (PubChem CID 116820679) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
PubChem CID116820679
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
SMILESCNNC(=O)COc1c(C)cccc1C
InChIInChI=1S/C11H16N2O2/c1-8-5-4-6-9(2)11(8)15-7-10(14)13-12-3/h4-6,12H,7H2,1-3H3,(H,13,14)
InChIKeyLFMLUAYBOOBAFD-UHFFFAOYSA-N
XLogP0.93
TPSA50.36 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 ≤ 50.93
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'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxyacetamide
CID 112550753
(E)-4-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6131518
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17353983
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 2210337
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 4506058
4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634664
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide (CID 116820679) is 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide is CNNC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide?
The InChIKey is LFMLUAYBOOBAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-5-4-6-9(2)11(8)15-7-10(14)13-12-3/h4-6,12H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide?
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide has a molecular weight of 208.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide is sourced from PubChem (CID 116820679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).