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

C16H15NO4 — CID 3140849

IUPACethyl 2-oxo-2-(4-phenoxyanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-2-20-16(19)15(18)17-12-8-10-14(11-9-12)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,17,18)
InChIKeyKOLXLTBKVQMYHE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.98
Rot. Bonds4

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

ethyl 2-oxo-2-(4-phenoxyanilino)acetate (PubChem CID 3140849) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-phenoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-phenoxyanilino)acetate
PubChem CID3140849
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-oxo-2-(4-phenoxyanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-2-20-16(19)15(18)17-12-8-10-14(11-9-12)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,17,18)
InChIKeyKOLXLTBKVQMYHE-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-2-(4-phenoxyanilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-phenoxyanilino)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-phenoxyanilino)acetate (CID 3140849) is ethyl 2-oxo-2-(4-phenoxyanilino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-phenoxyanilino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-phenoxyanilino)acetate is CCOC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-oxo-2-(4-phenoxyanilino)acetate?
The InChIKey is KOLXLTBKVQMYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-20-16(19)15(18)17-12-8-10-14(11-9-12)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-oxo-2-(4-phenoxyanilino)acetate?
ethyl 2-oxo-2-(4-phenoxyanilino)acetate has a molecular weight of 285.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(4-phenoxyanilino)acetate is sourced from PubChem (CID 3140849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).