[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate

C20H23NO5 — CID 2375807

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
SMILESCCN(C(=O)COC(=O)CCOc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H23NO5/c1-3-21(16-7-5-4-6-8-16)19(22)15-26-20(23)13-14-25-18-11-9-17(24-2)10-12-18/h4-12H,3,13-15H2,1-2H3
InChIKeyGWFXYZFGLMCKOM-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.06
Rot. Bonds9

About [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate

[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate (PubChem CID 2375807) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
PubChem CID2375807
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
SMILESCCN(C(=O)COC(=O)CCOc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H23NO5/c1-3-21(16-7-5-4-6-8-16)19(22)15-26-20(23)13-14-25-18-11-9-17(24-2)10-12-18/h4-12H,3,13-15H2,1-2H3
InChIKeyGWFXYZFGLMCKOM-UHFFFAOYSA-N
XLogP3.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29142245
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylacetamide
CID 113166010
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
CID 113122390
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 55305387
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate (CID 2375807) is [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate is CCN(C(=O)COC(=O)CCOc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The InChIKey is GWFXYZFGLMCKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-21(16-7-5-4-6-8-16)19(22)15-26-20(23)13-14-25-18-11-9-17(24-2)10-12-18/h4-12H,3,13-15H2,1-2H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate has a molecular weight of 357.41 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 2375807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).