[2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate

C17H17NO4 — CID 2437429

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H17NO4/c1-21-12-17(20)22-11-16(19)18-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyZSVASOLJESGYTO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.48
Rot. Bonds6

About [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate

[2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate (PubChem CID 2437429) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate
PubChem CID2437429
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H17NO4/c1-21-12-17(20)22-11-16(19)18-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyZSVASOLJESGYTO-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate (CID 2437429) is [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate is COCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate?
The InChIKey is ZSVASOLJESGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-12-17(20)22-11-16(19)18-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate has a molecular weight of 299.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-methoxyacetate is sourced from PubChem (CID 2437429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).