[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

C20H23NO4 — CID 7814066

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCCc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C20H23NO4/c1-4-16-6-5-7-17(11-16)21-19(22)12-25-20(23)13-24-18-9-8-14(2)10-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyOFPOIXKAULGFBM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds7

About [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 7814066) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID7814066
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCCc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C20H23NO4/c1-4-16-6-5-7-17(11-16)21-19(22)12-25-20(23)13-24-18-9-8-14(2)10-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyOFPOIXKAULGFBM-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
[2-(3-ethylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823037
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815255
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918544
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
N-(3-ethylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770107
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918872

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (CID 7814066) is [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is CCc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2C)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is OFPOIXKAULGFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-16-6-5-7-17(11-16)21-19(22)12-25-20(23)13-24-18-9-8-14(2)10-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 341.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 7814066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).