[2-(2,6-dimethylanilino)-2-oxoethyl] acetate

C12H15NO3 — CID 716418

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H15NO3/c1-8-5-4-6-9(2)12(8)13-11(15)7-16-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyGSPFJAOFMBRAFV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.81
Rot. Bonds3

About [2-(2,6-dimethylanilino)-2-oxoethyl] acetate

[2-(2,6-dimethylanilino)-2-oxoethyl] acetate (PubChem CID 716418) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
PubChem CID716418
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H15NO3/c1-8-5-4-6-9(2)12(8)13-11(15)7-16-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyGSPFJAOFMBRAFV-UHFFFAOYSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2509700
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984752
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-aminobenzoate
CID 23943551
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2335919
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
2-(4-acetamidophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 896754
[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate
CID 26984386
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] acetate (CID 716418) is [2-(2,6-dimethylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] acetate?
The InChIKey is GSPFJAOFMBRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-5-4-6-9(2)12(8)13-11(15)7-16-10(3)14/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] acetate?
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate has a molecular weight of 221.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 716418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).