[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate

C20H18N2O5 — CID 7984052

IUPAC[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H18N2O5/c1-13(23)16-4-3-5-17(10-16)22-19(24)12-26-20(25)14(2)27-18-8-6-15(11-21)7-9-18/h3-10,14H,12H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyGJCNLWSAZDIRMF-AWEZNQCLSA-N
MW366.37 g/mol
LogP2.71
Rot. Bonds7

About [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate

[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 7984052) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID7984052
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H18N2O5/c1-13(23)16-4-3-5-17(10-16)22-19(24)12-26-20(25)14(2)27-18-8-6-15(11-21)7-9-18/h3-10,14H,12H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyGJCNLWSAZDIRMF-AWEZNQCLSA-N
XLogP2.71
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate with MolForge

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8510532
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977782
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977779
[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-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984171
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984105
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55312899
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983681
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-(2,4-dichloroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984198

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate (CID 7984052) is [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate is CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is GJCNLWSAZDIRMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-13(23)16-4-3-5-17(10-16)22-19(24)12-26-20(25)14(2)27-18-8-6-15(11-21)7-9-18/h3-10,14H,12H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate?
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 366.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7984052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).