[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate

C20H20N2O4 — CID 7984215

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-15(26-18-9-7-17(13-21)8-10-18)20(24)25-14-19(23)22-12-11-16-5-3-2-4-6-16/h2-10,15H,11-12,14H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyHDIXRESEJXOOMT-HNNXBMFYSA-N
MW352.39 g/mol
LogP2.23
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate

[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 7984215) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID7984215
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-15(26-18-9-7-17(13-21)8-10-18)20(24)25-14-19(23)22-12-11-16-5-3-2-4-6-16/h2-10,15H,11-12,14H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyHDIXRESEJXOOMT-HNNXBMFYSA-N
XLogP2.23
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791419
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510584
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7978117
[2-oxo-2-(4-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977850
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984078
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
[2-oxo-2-(2-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7978126
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983687
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983854

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate (CID 7984215) is [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate is C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is HDIXRESEJXOOMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-15(26-18-9-7-17(13-21)8-10-18)20(24)25-14-19(23)22-12-11-16-5-3-2-4-6-16/h2-10,15H,11-12,14H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 352.39 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7984215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).