[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

C21H25NO4 — CID 7997857

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCCc1ccccc1NC(=O)COC(=O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO4/c1-5-17-8-6-7-9-18(17)22-19(23)12-25-20(24)13-26-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyCJIFGFFKVJETRZ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.73
Rot. Bonds7

About [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 7997857) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID7997857
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCCc1ccccc1NC(=O)COC(=O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO4/c1-5-17-8-6-7-9-18(17)22-19(23)12-25-20(24)13-26-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyCJIFGFFKVJETRZ-UHFFFAOYSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 39277767
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-(2-benzylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 29342398
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997548
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405454
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7519916
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997971
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405476

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (CID 7997857) is [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is CCc1ccccc1NC(=O)COC(=O)COc1c(C)cc(C)cc1C.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is CJIFGFFKVJETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-17-8-6-7-9-18(17)22-19(23)12-25-20(24)13-26-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 7997857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).