[2-(2-methylanilino)-2-oxoethyl] acetate

C11H13NO3 — CID 716417

IUPAC[2-(2-methylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccccc1C
InChIInChI=1S/C11H13NO3/c1-8-5-3-4-6-10(8)12-11(14)7-15-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyZHWDCRPJNVKOLJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.50
Rot. Bonds3

About [2-(2-methylanilino)-2-oxoethyl] acetate

[2-(2-methylanilino)-2-oxoethyl] acetate (PubChem CID 716417) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] acetate
PubChem CID716417
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccccc1C
InChIInChI=1S/C11H13NO3/c1-8-5-3-4-6-10(8)12-11(14)7-15-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyZHWDCRPJNVKOLJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylanilino)-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

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] acetate (CID 716417) is [2-(2-methylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1ccccc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] acetate?
The InChIKey is ZHWDCRPJNVKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-5-3-4-6-10(8)12-11(14)7-15-9(2)13/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] acetate?
[2-(2-methylanilino)-2-oxoethyl] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 716417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).