Vorinostat

C₁₄H₂₀N₂O₃ — CID 5311

About Vorinostat

Vorinostat (PubChem CID 5311) has the molecular formula C₁₄H₂₀N₂O₃ and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-hydroxy-N-phenyloctanediamide.

Molecular Properties

• Compound Name: Vorinostat
• PubChem CID: 5311
• Molecular Formula: C₁₄H₂₀N₂O₃
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.15
• IUPAC Name: N'-hydroxy-N-phenyloctanediamide
• SMILES: O=C(CCCCCCC(=O)Nc1ccccc1)NO
• InChI: InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
• InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.32
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Vorinostat?

The IUPAC name of Vorinostat (CID 5311) is N'-hydroxy-N-phenyloctanediamide.

What is the SMILES notation for Vorinostat?

The canonical SMILES for Vorinostat is O=C(CCCCCCC(=O)Nc1ccccc1)NO.

What is the InChIKey of Vorinostat?

The InChIKey is WAEXFXRVDQXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18).

What are the key properties of Vorinostat?

Vorinostat has a molecular weight of 264.32 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Vorinostat is sourced from PubChem (CID 5311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5311 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4124 — approved-drug record (CC BY-SA 4.0)

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