Benactyzine

C₂₀H₂₅NO₃ — CID 9330

About Benactyzine

Benactyzine (PubChem CID 9330) has the molecular formula C₂₀H₂₅NO₃ and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

• Compound Name: Benactyzine
• PubChem CID: 9330
• Molecular Formula: C₂₀H₂₅NO₃
• Molecular Weight: 327.42 g/mol
• Exact Mass: 327.18
• IUPAC Name: 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
• SMILES: CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
• InChIKey: IVQOFBKHQCTVQV-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.42
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Benactyzine?

The IUPAC name of Benactyzine (CID 9330) is 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate.

What is the SMILES notation for Benactyzine?

The canonical SMILES for Benactyzine is CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.

What is the InChIKey of Benactyzine?

The InChIKey is IVQOFBKHQCTVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3.

What are the key properties of Benactyzine?

Benactyzine has a molecular weight of 327.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Benactyzine is sourced from PubChem (CID 9330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9330 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 298 — approved-drug record (CC BY-SA 4.0)

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