[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

C20H20N2O4 — CID 7984171

IUPAC[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESCCc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-15-4-8-17(9-5-15)22-19(23)13-25-20(24)14(2)26-18-10-6-16(12-21)7-11-18/h4-11,14H,3,13H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyOGATZNDOCRWSSD-CQSZACIVSA-N
MW352.39 g/mol
LogP3.07
Rot. Bonds7

About [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7984171) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7984171
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESCCc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-15-4-8-17(9-5-15)22-19(23)13-25-20(24)14(2)26-18-10-6-16(12-21)7-11-18/h4-11,14H,3,13H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyOGATZNDOCRWSSD-CQSZACIVSA-N
XLogP3.07
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-oxo-2-(4-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977850
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7762118
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984052
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983681
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8938076
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510532
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55312899
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984106
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487246

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7984171) is [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is CCc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is OGATZNDOCRWSSD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-15-4-8-17(9-5-15)22-19(23)13-25-20(24)14(2)26-18-10-6-16(12-21)7-11-18/h4-11,14H,3,13H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 352.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7984171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).