[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate

C13H17NO3 — CID 2109366

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
SMILESCCc1cccc(C)c1NC(=O)COC(C)=O
InChIInChI=1S/C13H17NO3/c1-4-11-7-5-6-9(2)13(11)14-12(16)8-17-10(3)15/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyWJAPITLZDXLKEC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.06
Rot. Bonds4

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate (PubChem CID 2109366) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
PubChem CID2109366
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
SMILESCCc1cccc(C)c1NC(=O)COC(C)=O
InChIInChI=1S/C13H17NO3/c1-4-11-7-5-6-9(2)13(11)14-12(16)8-17-10(3)15/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyWJAPITLZDXLKEC-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2636706
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2700939
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170402
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178089
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate (CID 2109366) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate is CCc1cccc(C)c1NC(=O)COC(C)=O.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate?
The InChIKey is WJAPITLZDXLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-11-7-5-6-9(2)13(11)14-12(16)8-17-10(3)15/h5-7H,4,8H2,1-3H3,(H,14,16).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate has a molecular weight of 235.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 2109366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).