[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C21H23NO5 — CID 9326799

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-3-15-5-9-17(10-6-15)22-20(24)13-27-21(25)14-26-18-11-7-16(8-12-18)19(23)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeySLXYINKSORCSTP-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.40
Rot. Bonds9

About [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 9326799) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID9326799
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-3-15-5-9-17(10-6-15)22-20(24)13-27-21(25)14-26-18-11-7-16(8-12-18)19(23)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeySLXYINKSORCSTP-UHFFFAOYSA-N
XLogP3.40
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855157
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 55318318
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9325956
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16624970
N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788208
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 9326799) is [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is SLXYINKSORCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-3-15-5-9-17(10-6-15)22-20(24)13-27-21(25)14-26-18-11-7-16(8-12-18)19(23)4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 369.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 9326799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).