Butacetin

C₁₂H₁₇NO₂ — CID 16426

About Butacetin

Butacetin (PubChem CID 16426) has the molecular formula C₁₂H₁₇NO₂ and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide.

Molecular Properties

• Compound Name: Butacetin
• PubChem CID: 16426
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.27 g/mol
• Exact Mass: 207.13
• IUPAC Name: N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(OC(C)(C)C)cc1
• InChI: InChI=1S/C12H17NO2/c1-9(14)13-10-5-7-11(8-6-10)15-12(2,3)4/h5-8H,1-4H3,(H,13,14)
• InChIKey: QTNZYVAMNRDUAD-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.27
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Butacetin?

The IUPAC name of Butacetin (CID 16426) is N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide.

What is the SMILES notation for Butacetin?

The canonical SMILES for Butacetin is CC(=O)Nc1ccc(OC(C)(C)C)cc1.

What is the InChIKey of Butacetin?

The InChIKey is QTNZYVAMNRDUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(14)13-10-5-7-11(8-6-10)15-12(2,3)4/h5-8H,1-4H3,(H,13,14).

What are the key properties of Butacetin?

Butacetin has a molecular weight of 207.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Butacetin is sourced from PubChem (CID 16426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16426 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3690 — approved-drug record (CC BY-SA 4.0)

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