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

C20H21NO5 — CID 9272402

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1
InChIInChI=1S/C20H21NO5/c1-3-15-8-10-16(11-9-15)25-13-20(24)26-12-19(23)21-18-7-5-4-6-17(18)14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVVBAXDGZVIHIAV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.01
Rot. Bonds8

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

[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 9272402) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID9272402
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1
InChIInChI=1S/C20H21NO5/c1-3-15-8-10-16(11-9-15)25-13-20(24)26-12-19(23)21-18-7-5-4-6-17(18)14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVVBAXDGZVIHIAV-UHFFFAOYSA-N
XLogP3.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844686
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate
CID 9272615
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844696
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8638261
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
2-(4-ethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113216

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 9272402) is [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(C)=O)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is VVBAXDGZVIHIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-15-8-10-16(11-9-15)25-13-20(24)26-12-19(23)21-18-7-5-4-6-17(18)14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 355.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 9272402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).