Propafenone

C₂₁H₂₇NO₃ — CID 4932

About Propafenone

Propafenone (PubChem CID 4932) has the molecular formula C₂₁H₂₇NO₃ and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: Propafenone
• PubChem CID: 4932
• Molecular Formula: C₂₁H₂₇NO₃
• Molecular Weight: 341.45 g/mol
• Exact Mass: 341.20
• IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
• SMILES: CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
• InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
• InChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.45
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Propafenone?

The IUPAC name of Propafenone (CID 4932) is 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one.

What is the SMILES notation for Propafenone?

The canonical SMILES for Propafenone is CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.

What is the InChIKey of Propafenone?

The InChIKey is JWHAUXFOSRPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3.

What are the key properties of Propafenone?

Propafenone has a molecular weight of 341.45 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Propafenone is sourced from PubChem (CID 4932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4932 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2291 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.