Olaflur

C₂₇H₅₈N₂O₃ — CID 23258

About Olaflur

Olaflur (PubChem CID 23258) has the molecular formula C₂₇H₅₈N₂O₃ and a molecular weight of 458.77 g/mol. Its IUPAC name is 2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanol.

Molecular Properties

• Compound Name: Olaflur
• PubChem CID: 23258
• Molecular Formula: C₂₇H₅₈N₂O₃
• Molecular Weight: 458.77 g/mol
• Exact Mass: 458.44
• IUPAC Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanol
• SMILES: CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO
• InChI: InChI=1S/C27H58N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32/h30-32H,2-27H2,1H3
• InChIKey: KRZCNRGNPAESDC-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 67.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 27
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.77
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Olaflur?

The IUPAC name of Olaflur (CID 23258) is 2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanol.

What is the SMILES notation for Olaflur?

The canonical SMILES for Olaflur is CCCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO.

What is the InChIKey of Olaflur?

The InChIKey is KRZCNRGNPAESDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32/h30-32H,2-27H2,1H3.

What are the key properties of Olaflur?

Olaflur has a molecular weight of 458.77 g/mol, XLogP of 5.22, 27 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Olaflur is sourced from PubChem (CID 23258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23258 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4311 — approved-drug record (CC BY-SA 4.0)

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