ethyl 2-oxo-2-(4-phenylanilino)acetate

C16H15NO3 — CID 4102623

IUPACethyl 2-oxo-2-(4-phenylanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-16(19)15(18)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)
InChIKeyHMIWWSHLCQTVJN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.86
Rot. Bonds3

About ethyl 2-oxo-2-(4-phenylanilino)acetate

ethyl 2-oxo-2-(4-phenylanilino)acetate (PubChem CID 4102623) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-phenylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-phenylanilino)acetate
PubChem CID4102623
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl 2-oxo-2-(4-phenylanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-20-16(19)15(18)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)
InChIKeyHMIWWSHLCQTVJN-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Ethyl oxanilate
CID 73826
[N-(2-methylphenyl)carbamoyl]methyl acetate
CID 716417
Ethyl [(2-cyanophenyl)amino](oxo)acetate
CID 319444
Oxanilic acid, 4-methyl-, ethyl ester
CID 140391
[N-(2,6-dimethylphenyl)carbamoyl]methyl acetate
CID 716418
(N,N'-Di-p-tolyl-hydrazino)-oxo-acetic acid ethyl ester
CID 1968103
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-Oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate
CID 2437429
2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
[([1,1'-Biphenyl]-4-yl)amino](oxo)acetic acid
CID 14048644

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-phenylanilino)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-phenylanilino)acetate (CID 4102623) is ethyl 2-oxo-2-(4-phenylanilino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-phenylanilino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-phenylanilino)acetate is CCOC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-oxo-2-(4-phenylanilino)acetate?
The InChIKey is HMIWWSHLCQTVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-16(19)15(18)17-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-oxo-2-(4-phenylanilino)acetate?
ethyl 2-oxo-2-(4-phenylanilino)acetate has a molecular weight of 269.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(4-phenylanilino)acetate is sourced from PubChem (CID 4102623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).