Exalamide

C₁₃H₁₉NO₂ — CID 3316

About Exalamide

Exalamide (PubChem CID 3316) has the molecular formula C₁₃H₁₉NO₂ and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-hexoxybenzamide.

Molecular Properties

• Compound Name: Exalamide
• PubChem CID: 3316
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.30 g/mol
• Exact Mass: 221.14
• IUPAC Name: 2-hexoxybenzamide
• SMILES: CCCCCCOc1ccccc1C(N)=O
• InChI: InChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)
• InChIKey: CKSJXOVLXUMMFF-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.30
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Exalamide?

The IUPAC name of Exalamide (CID 3316) is 2-hexoxybenzamide.

What is the SMILES notation for Exalamide?

The canonical SMILES for Exalamide is CCCCCCOc1ccccc1C(N)=O.

What is the InChIKey of Exalamide?

The InChIKey is CKSJXOVLXUMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15).

What are the key properties of Exalamide?

Exalamide has a molecular weight of 221.30 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Exalamide is sourced from PubChem (CID 3316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3316 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1119 — approved-drug record (CC BY-SA 4.0)

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