Bucetin

C₁₂H₁₇NO₃ — CID 14130

About Bucetin

Bucetin (PubChem CID 14130) has the molecular formula C₁₂H₁₇NO₃ and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-hydroxybutanamide.

Molecular Properties

• Compound Name: Bucetin
• PubChem CID: 14130
• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.27 g/mol
• Exact Mass: 223.12
• IUPAC Name: N-(4-ethoxyphenyl)-3-hydroxybutanamide
• SMILES: CCOc1ccc(NC(=O)CC(C)O)cc1
• InChI: InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
• InChIKey: LIAWQASKBFCRNR-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.27
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Bucetin?

The IUPAC name of Bucetin (CID 14130) is N-(4-ethoxyphenyl)-3-hydroxybutanamide.

What is the SMILES notation for Bucetin?

The canonical SMILES for Bucetin is CCOc1ccc(NC(=O)CC(C)O)cc1.

What is the InChIKey of Bucetin?

The InChIKey is LIAWQASKBFCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15).

What are the key properties of Bucetin?

Bucetin has a molecular weight of 223.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Bucetin is sourced from PubChem (CID 14130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14130 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 413 — approved-drug record (CC BY-SA 4.0)

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