2-(2-oxochromen-4-yl)oxy-N-phenylacetamide

C17H13NO4 — CID 127040047

IUPAC2-(2-oxochromen-4-yl)oxy-N-phenylacetamide
SMILESO=C(COc1cc(=O)oc2ccccc12)Nc1ccccc1
InChIInChI=1S/C17H13NO4/c19-16(18-12-6-2-1-3-7-12)11-21-15-10-17(20)22-14-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19)
InChIKeyDOGUSLNKUOAMQI-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide

2-(2-oxochromen-4-yl)oxy-N-phenylacetamide (PubChem CID 127040047) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-oxochromen-4-yl)oxy-N-phenylacetamide
PubChem CID127040047
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-(2-oxochromen-4-yl)oxy-N-phenylacetamide
SMILESO=C(COc1cc(=O)oc2ccccc12)Nc1ccccc1
InChIInChI=1S/C17H13NO4/c19-16(18-12-6-2-1-3-7-12)11-21-15-10-17(20)22-14-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19)
InChIKeyDOGUSLNKUOAMQI-UHFFFAOYSA-N
XLogP2.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide 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 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide (CID 127040047) is 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide is O=C(COc1cc(=O)oc2ccccc12)Nc1ccccc1.
What is the InChIKey of 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide?
The InChIKey is DOGUSLNKUOAMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-16(18-12-6-2-1-3-7-12)11-21-15-10-17(20)22-14-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19).
What are the key properties of 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide?
2-(2-oxochromen-4-yl)oxy-N-phenylacetamide has a molecular weight of 295.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-4-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 127040047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).