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

C17H17NO4 — CID 2169980

IUPACethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c1-2-21-17(20)16(19)18-14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyWQLOVSVPJGCCIM-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.77
Rot. Bonds5

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

ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate (PubChem CID 2169980) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate
PubChem CID2169980
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c1-2-21-17(20)16(19)18-14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyWQLOVSVPJGCCIM-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate (CID 2169980) is ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate is CCOC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate?
The InChIKey is WQLOVSVPJGCCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-21-17(20)16(19)18-14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate?
ethyl 2-oxo-2-(4-phenylmethoxyanilino)acetate has a molecular weight of 299.33 g/mol, XLogP of 2.77, 5 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-phenylmethoxyanilino)acetate is sourced from PubChem (CID 2169980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).