Acelax

C₂₄H₁₉NO₅ — CID 8269

About Acelax

Acelax (PubChem CID 8269) has the molecular formula C₂₄H₁₉NO₅ and a molecular weight of 401.42 g/mol. Its IUPAC name is [4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate.

Molecular Properties

• Compound Name: Acelax
• PubChem CID: 8269
• Molecular Formula: C₂₄H₁₉NO₅
• Molecular Weight: 401.42 g/mol
• Exact Mass: 401.13
• IUPAC Name: [4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate
• SMILES: CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1
• InChI: InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)
• InChIKey: PHPUXYRXPHEJDF-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Acelax?

The IUPAC name of Acelax (CID 8269) is [4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate.

What is the SMILES notation for Acelax?

The canonical SMILES for Acelax is CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1.

What is the InChIKey of Acelax?

The InChIKey is PHPUXYRXPHEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28).

What are the key properties of Acelax?

Acelax has a molecular weight of 401.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Acelax is sourced from PubChem (CID 8269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8269 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2037 — approved-drug record (CC BY-SA 4.0)

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