Atenolol

C₁₄H₂₂N₂O₃ — CID 2249

About Atenolol

Atenolol (PubChem CID 2249) has the molecular formula C₁₄H₂₂N₂O₃ and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: Atenolol
• PubChem CID: 2249
• Molecular Formula: C₁₄H₂₂N₂O₃
• Molecular Weight: 266.34 g/mol
• Exact Mass: 266.16
• IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
• SMILES: CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
• InChI: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
• InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N
• XLogP: 0.45
• TPSA: 84.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.34
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Atenolol?

The IUPAC name of Atenolol (CID 2249) is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.

What is the SMILES notation for Atenolol?

The canonical SMILES for Atenolol is CC(C)NCC(O)COc1ccc(CC(N)=O)cc1.

What is the InChIKey of Atenolol?

The InChIKey is METKIMKYRPQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18).

What are the key properties of Atenolol?

Atenolol has a molecular weight of 266.34 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Atenolol is sourced from PubChem (CID 2249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2249 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 255 — approved-drug record (CC BY-SA 4.0)

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