sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide

C11H15NNaO2+ — CID 19042259

IUPACsodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C)cccc1C.[Na+]
InChIInChI=1S/C11H15NO2.Na/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3;/h4-6H,7H2,1-3H3,(H,12,13);/q;+1
InChIKeyIDTBIBPLRRJJSR-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.11
Rot. Bonds3

About sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide

sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide (PubChem CID 19042259) has the molecular formula C11H15NNaO2+ and a molecular weight of 216.24 g/mol. Its IUPAC name is sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound Namesodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
PubChem CID19042259
Molecular FormulaC11H15NNaO2+
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Namesodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(C)cccc1C.[Na+]
InChIInChI=1S/C11H15NO2.Na/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3;/h4-6H,7H2,1-3H3,(H,12,13);/q;+1
InChIKeyIDTBIBPLRRJJSR-UHFFFAOYSA-N
XLogP-1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
2-(4-acetamidophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 896754
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556286
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107

Frequently Asked Questions

What is the IUPAC name of sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide?
The IUPAC name of sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide (CID 19042259) is sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide.
What is the SMILES notation for sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide?
The canonical SMILES for sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide is COCC(=O)Nc1c(C)cccc1C.[Na+].
What is the InChIKey of sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide?
The InChIKey is IDTBIBPLRRJJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.Na/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3;/h4-6H,7H2,1-3H3,(H,12,13);/q;+1.
What are the key properties of sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide?
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide has a molecular weight of 216.24 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 19042259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).