[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate

C20H20N2O4 — CID 9275983

IUPAC[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
SMILESCCN(C(=O)[C@H](C)OC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-3-22(17-10-5-4-6-11-17)20(24)15(2)26-19(23)14-25-18-12-8-7-9-16(18)13-21/h4-12,15H,3,14H2,1-2H3/t15-/m0/s1
InChIKeyJQCIDOWSTPVJMQ-HNNXBMFYSA-N
MW352.39 g/mol
LogP2.92
Rot. Bonds7

About [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate

[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate (PubChem CID 9275983) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
PubChem CID9275983
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
SMILESCCN(C(=O)[C@H](C)OC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-3-22(17-10-5-4-6-11-17)20(24)15(2)26-19(23)14-25-18-12-8-7-9-16(18)13-21/h4-12,15H,3,14H2,1-2H3/t15-/m0/s1
InChIKeyJQCIDOWSTPVJMQ-HNNXBMFYSA-N
XLogP2.92
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 4985443
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274527
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate
CID 166197032
3-[[2-(2-cyanophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62827727
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983913
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 2674350
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275716
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275366
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275422

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate (CID 9275983) is [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate is CCN(C(=O)[C@H](C)OC(=O)COc1ccccc1C#N)c1ccccc1.
What is the InChIKey of [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
The InChIKey is JQCIDOWSTPVJMQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-22(17-10-5-4-6-11-17)20(24)15(2)26-19(23)14-25-18-12-8-7-9-16(18)13-21/h4-12,15H,3,14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate has a molecular weight of 352.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9275983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).