Pramoxine

C₁₇H₂₇NO₃ — CID 4886

About Pramoxine

Pramoxine (PubChem CID 4886) has the molecular formula C₁₇H₂₇NO₃ and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[3-(4-butoxyphenoxy)propyl]morpholine.

Molecular Properties

• Compound Name: Pramoxine
• PubChem CID: 4886
• Molecular Formula: C₁₇H₂₇NO₃
• Molecular Weight: 293.41 g/mol
• Exact Mass: 293.20
• IUPAC Name: 4-[3-(4-butoxyphenoxy)propyl]morpholine
• SMILES: CCCCOc1ccc(OCCCN2CCOCC2)cc1
• InChI: InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
• InChIKey: DQKXQSGTHWVTAD-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.41
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Pramoxine?

The IUPAC name of Pramoxine (CID 4886) is 4-[3-(4-butoxyphenoxy)propyl]morpholine.

What is the SMILES notation for Pramoxine?

The canonical SMILES for Pramoxine is CCCCOc1ccc(OCCCN2CCOCC2)cc1.

What is the InChIKey of Pramoxine?

The InChIKey is DQKXQSGTHWVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3.

What are the key properties of Pramoxine?

Pramoxine has a molecular weight of 293.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Pramoxine is sourced from PubChem (CID 4886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4886 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3487 — approved-drug record (CC BY-SA 4.0)

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