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

C25H23NO5 — CID 7844686

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-2-18-12-14-20(15-13-18)30-17-24(28)31-16-23(27)26-22-11-7-6-10-21(22)25(29)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,26,27)
InChIKeyLHRNPIUKAXFSKE-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.04
Rot. Bonds9

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

[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 7844686) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID7844686
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-2-18-12-14-20(15-13-18)30-17-24(28)31-16-23(27)26-22-11-7-6-10-21(22)25(29)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,26,27)
InChIKeyLHRNPIUKAXFSKE-UHFFFAOYSA-N
XLogP4.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
[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
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210429
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 7844686) is [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is LHRNPIUKAXFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-2-18-12-14-20(15-13-18)30-17-24(28)31-16-23(27)26-22-11-7-6-10-21(22)25(29)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,26,27).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 417.46 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 7844686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).