Parethoxycaine

C₁₅H₂₃NO₃ — CID 7183

About Parethoxycaine

Parethoxycaine (PubChem CID 7183) has the molecular formula C₁₅H₂₃NO₃ and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-ethoxybenzoate.

Molecular Properties

• Compound Name: Parethoxycaine
• PubChem CID: 7183
• Molecular Formula: C₁₅H₂₃NO₃
• Molecular Weight: 265.35 g/mol
• Exact Mass: 265.17
• IUPAC Name: 2-(diethylamino)ethyl 4-ethoxybenzoate
• SMILES: CCOc1ccc(C(=O)OCCN(CC)CC)cc1
• InChI: InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3
• InChIKey: OWWVHQUOYSPNNE-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.35
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Parethoxycaine?

The IUPAC name of Parethoxycaine (CID 7183) is 2-(diethylamino)ethyl 4-ethoxybenzoate.

What is the SMILES notation for Parethoxycaine?

The canonical SMILES for Parethoxycaine is CCOc1ccc(C(=O)OCCN(CC)CC)cc1.

What is the InChIKey of Parethoxycaine?

The InChIKey is OWWVHQUOYSPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3.

What are the key properties of Parethoxycaine?

Parethoxycaine has a molecular weight of 265.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Parethoxycaine is sourced from PubChem (CID 7183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7183 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3805 — approved-drug record (CC BY-SA 4.0)

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