Propoxycaine

C₁₆H₂₆N₂O₃ — CID 6843

About Propoxycaine

Propoxycaine (PubChem CID 6843) has the molecular formula C₁₆H₂₆N₂O₃ and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate.

Molecular Properties

• Compound Name: Propoxycaine
• PubChem CID: 6843
• Molecular Formula: C₁₆H₂₆N₂O₃
• Molecular Weight: 294.39 g/mol
• Exact Mass: 294.19
• IUPAC Name: 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate
• SMILES: CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
• InChI: InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
• InChIKey: CAJIGINSTLKQMM-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.39
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Propoxycaine?

The IUPAC name of Propoxycaine (CID 6843) is 2-(diethylamino)ethyl 4-amino-2-propoxybenzoate.

What is the SMILES notation for Propoxycaine?

The canonical SMILES for Propoxycaine is CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.

What is the InChIKey of Propoxycaine?

The InChIKey is CAJIGINSTLKQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3.

What are the key properties of Propoxycaine?

Propoxycaine has a molecular weight of 294.39 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Propoxycaine is sourced from PubChem (CID 6843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6843 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3496 — approved-drug record (CC BY-SA 4.0)

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