[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate

C20H23NO4 — CID 7233309

IUPAC[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCCc1ccc(NC(=O)COC(=O)[C@H](CC)Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-15-10-12-16(13-11-15)21-19(22)14-24-20(23)18(4-2)25-17-8-6-5-7-9-17/h5-13,18H,3-4,14H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyHRUZIVJMCFFIRB-SFHVURJKSA-N
MW341.41 g/mol
LogP3.59
Rot. Bonds8

About [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate

[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate (PubChem CID 7233309) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
PubChem CID7233309
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
SMILESCCc1ccc(NC(=O)COC(=O)[C@H](CC)Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-15-10-12-16(13-11-15)21-19(22)14-24-20(23)18(4-2)25-17-8-6-5-7-9-17/h5-13,18H,3-4,14H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyHRUZIVJMCFFIRB-SFHVURJKSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[(2S)-2-phenoxybutanoyl]oxyacetyl]amino]benzoate
CID 7233328
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
CID 7229828
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555759
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7555603
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229814
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555744
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate (CID 7233309) is [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate is CCc1ccc(NC(=O)COC(=O)[C@H](CC)Oc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
The InChIKey is HRUZIVJMCFFIRB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-15-10-12-16(13-11-15)21-19(22)14-24-20(23)18(4-2)25-17-8-6-5-7-9-17/h5-13,18H,3-4,14H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate?
[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate has a molecular weight of 341.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate is sourced from PubChem (CID 7233309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).