Acetylpheneturide

C₁₃H₁₆N₂O₃ — CID 1999

About Acetylpheneturide

Acetylpheneturide (PubChem CID 1999) has the molecular formula C₁₃H₁₆N₂O₃ and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(acetylcarbamoyl)-2-phenylbutanamide.

Molecular Properties

• Compound Name: Acetylpheneturide
• PubChem CID: 1999
• Molecular Formula: C₁₃H₁₆N₂O₃
• Molecular Weight: 248.28 g/mol
• Exact Mass: 248.12
• IUPAC Name: N-(acetylcarbamoyl)-2-phenylbutanamide
• SMILES: CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1
• InChI: InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
• InChIKey: GBPZSCQLDXUGNO-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.28
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Acetylpheneturide?

The IUPAC name of Acetylpheneturide (CID 1999) is N-(acetylcarbamoyl)-2-phenylbutanamide.

What is the SMILES notation for Acetylpheneturide?

The canonical SMILES for Acetylpheneturide is CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1.

What is the InChIKey of Acetylpheneturide?

The InChIKey is GBPZSCQLDXUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18).

What are the key properties of Acetylpheneturide?

Acetylpheneturide has a molecular weight of 248.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Acetylpheneturide is sourced from PubChem (CID 1999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1999 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 72 — approved-drug record (CC BY-SA 4.0)

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