[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

C21H23NO6 — CID 16535326

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H23NO6/c1-3-26-18-8-10-19(11-9-18)27-13-12-21(25)28-14-20(24)22-17-6-4-16(5-7-17)15(2)23/h4-11H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyGBDOTEZZKRFZPY-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.24
Rot. Bonds10

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

[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 16535326) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID16535326
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H23NO6/c1-3-26-18-8-10-19(11-9-18)27-13-12-21(25)28-14-20(24)22-17-6-4-16(5-7-17)15(2)23/h4-11H,3,12-14H2,1-2H3,(H,22,24)
InChIKeyGBDOTEZZKRFZPY-UHFFFAOYSA-N
XLogP3.24
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (CID 16535326) is [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is GBDOTEZZKRFZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-3-26-18-8-10-19(11-9-18)27-13-12-21(25)28-14-20(24)22-17-6-4-16(5-7-17)15(2)23/h4-11H,3,12-14H2,1-2H3,(H,22,24).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 385.42 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 16535326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).