[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate

C13H17NO4 — CID 7776162

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H17NO4/c1-9-4-5-11(10(2)6-9)14-12(15)7-18-13(16)8-17-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKeyNOEREPPAHXUCDW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.43
Rot. Bonds5

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate (PubChem CID 7776162) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
PubChem CID7776162
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H17NO4/c1-9-4-5-11(10(2)6-9)14-12(15)7-18-13(16)8-17-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKeyNOEREPPAHXUCDW-UHFFFAOYSA-N
XLogP1.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate 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-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212915
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
[2-(2,4-dimethylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495268
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926110
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003458
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610928
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate (CID 7776162) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate?
The InChIKey is NOEREPPAHXUCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-4-5-11(10(2)6-9)14-12(15)7-18-13(16)8-17-3/h4-6H,7-8H2,1-3H3,(H,14,15).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate has a molecular weight of 251.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 7776162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).