2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide

C23H19NO3 — CID 71550062

IUPAC2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide
SMILESCc1ccc2c(=O)c3cccc(CC(=O)Nc4ccccc4)c3oc2c1C
InChIInChI=1S/C23H19NO3/c1-14-11-12-19-21(26)18-10-6-7-16(23(18)27-22(19)15(14)2)13-20(25)24-17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyZLLMZQIZMHAHKI-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.74
Rot. Bonds3

About 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide

2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide (PubChem CID 71550062) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide
PubChem CID71550062
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide
SMILESCc1ccc2c(=O)c3cccc(CC(=O)Nc4ccccc4)c3oc2c1C
InChIInChI=1S/C23H19NO3/c1-14-11-12-19-21(26)18-10-6-7-16(23(18)27-22(19)15(14)2)13-20(25)24-17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyZLLMZQIZMHAHKI-UHFFFAOYSA-N
XLogP4.74
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-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-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide?
The IUPAC name of 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide (CID 71550062) is 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide is Cc1ccc2c(=O)c3cccc(CC(=O)Nc4ccccc4)c3oc2c1C.
What is the InChIKey of 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide?
The InChIKey is ZLLMZQIZMHAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-14-11-12-19-21(26)18-10-6-7-16(23(18)27-22(19)15(14)2)13-20(25)24-17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide?
2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide has a molecular weight of 357.41 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-phenylacetamide is sourced from PubChem (CID 71550062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).