[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate

C24H22N2O5 — CID 8609217

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-17(27)25-19-9-7-18(8-10-19)15-24(29)30-16-23(28)26-20-11-13-22(14-12-20)31-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyVDXMDVAKECBMSE-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.16
Rot. Bonds8

About [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8609217) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8609217
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-17(27)25-19-9-7-18(8-10-19)15-24(29)30-16-23(28)26-20-11-13-22(14-12-20)31-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyVDXMDVAKECBMSE-UHFFFAOYSA-N
XLogP4.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671886
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 3557006
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate (CID 8609217) is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is VDXMDVAKECBMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-17(27)25-19-9-7-18(8-10-19)15-24(29)30-16-23(28)26-20-11-13-22(14-12-20)31-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 418.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).