Tybamate

C₁₃H₂₆N₂O₄ — CID 20266

About Tybamate

Tybamate (PubChem CID 20266) has the molecular formula C₁₃H₂₆N₂O₄ and a molecular weight of 274.36 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)-2-methylpentyl] N-butylcarbamate.

Molecular Properties

• Compound Name: Tybamate
• PubChem CID: 20266
• Molecular Formula: C₁₃H₂₆N₂O₄
• Molecular Weight: 274.36 g/mol
• Exact Mass: 274.19
• IUPAC Name: [2-(carbamoyloxymethyl)-2-methylpentyl] N-butylcarbamate
• SMILES: CCCCNC(=O)OCC(C)(CCC)COC(N)=O
• InChI: InChI=1S/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)
• InChIKey: PRBORDFJHHAISJ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 90.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.36
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
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 Tybamate?

The IUPAC name of Tybamate (CID 20266) is [2-(carbamoyloxymethyl)-2-methylpentyl] N-butylcarbamate.

What is the SMILES notation for Tybamate?

The canonical SMILES for Tybamate is CCCCNC(=O)OCC(C)(CCC)COC(N)=O.

What is the InChIKey of Tybamate?

The InChIKey is PRBORDFJHHAISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17).

What are the key properties of Tybamate?

Tybamate has a molecular weight of 274.36 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tybamate is sourced from PubChem (CID 20266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20266 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2783 — approved-drug record (CC BY-SA 4.0)

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