Xenysalate

C₁₉H₂₃NO₃ — CID 21720

About Xenysalate

Xenysalate (PubChem CID 21720) has the molecular formula C₁₉H₂₃NO₃ and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate.

Molecular Properties

• Compound Name: Xenysalate
• PubChem CID: 21720
• Molecular Formula: C₁₉H₂₃NO₃
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.17
• IUPAC Name: 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate
• SMILES: CCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O
• InChI: InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3
• InChIKey: HLDCSYXMVXILQC-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Xenysalate?

The IUPAC name of Xenysalate (CID 21720) is 2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate.

What is the SMILES notation for Xenysalate?

The canonical SMILES for Xenysalate is CCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1O.

What is the InChIKey of Xenysalate?

The InChIKey is HLDCSYXMVXILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3.

What are the key properties of Xenysalate?

Xenysalate has a molecular weight of 313.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Xenysalate is sourced from PubChem (CID 21720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21720 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3027 — approved-drug record (CC BY-SA 4.0)

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