[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

C20H21NO6 — CID 7606394

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO6/c1-3-25-17-8-10-18(11-9-17)26-13-20(24)27-12-19(23)21-16-6-4-15(5-7-16)14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyXKZFBIOZKIVNPE-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.85
Rot. Bonds9

About [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 7606394) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID7606394
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO6/c1-3-25-17-8-10-18(11-9-17)26-13-20(24)27-12-19(23)21-16-6-4-15(5-7-16)14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyXKZFBIOZKIVNPE-UHFFFAOYSA-N
XLogP2.85
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(4-acetylanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2118244
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (CID 7606394) is [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is XKZFBIOZKIVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-25-17-8-10-18(11-9-17)26-13-20(24)27-12-19(23)21-16-6-4-15(5-7-16)14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 371.39 g/mol, XLogP of 2.85, 9 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] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 7606394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).