[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

C21H22N2O4 — CID 7983913

IUPAC[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESCCN(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-4-23(18-8-6-5-7-9-18)20(24)15(2)27-21(25)16(3)26-19-12-10-17(14-22)11-13-19/h5-13,15-16H,4H2,1-3H3/t15-,16+/m1/s1
InChIKeyJZUGYHHGCWSIMS-CVEARBPZSA-N
MW366.42 g/mol
LogP3.31
Rot. Bonds7

About [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 7983913) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID7983913
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESCCN(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-4-23(18-8-6-5-7-9-18)20(24)15(2)27-21(25)16(3)26-19-12-10-17(14-22)11-13-19/h5-13,15-16H,4H2,1-3H3/t15-,16+/m1/s1
InChIKeyJZUGYHHGCWSIMS-CVEARBPZSA-N
XLogP3.31
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
[(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856714
4-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 8608037
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8636414
(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
CID 8976826
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8506017
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487270
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791202
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856985
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate (CID 7983913) is [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate is CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is JZUGYHHGCWSIMS-CVEARBPZSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-23(18-8-6-5-7-9-18)20(24)15(2)27-21(25)16(3)26-19-12-10-17(14-22)11-13-19/h5-13,15-16H,4H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate?
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 366.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7983913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).