N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride

C₁₇H₂₆ClN₃O — CID 10268144

About N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride

N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride (PubChem CID 10268144) has the molecular formula C₁₇H₂₆ClN₃O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride.

Molecular Properties

• Compound Name: N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride
• PubChem CID: 10268144
• Molecular Formula: C₁₇H₂₆ClN₃O
• Molecular Weight: 323.87 g/mol
• Exact Mass: 323.18
• IUPAC Name: N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride
• SMILES: Cc1n(CC(=O)NC2C3CC4CC(C3)CC2C4)cc[n+]1C.[Cl-]
• InChI: InChI=1S/C17H25N3O.ClH/c1-11-19(2)3-4-20(11)10-16(21)18-17-14-6-12-5-13(8-14)9-15(17)7-12;/h3-4,12-15,17H,5-10H2,1-2H3;1H
• InChIKey: UTKFMONCRGKGSI-UHFFFAOYSA-N
• XLogP: -1.43
• TPSA: 37.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.87
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride?

The IUPAC name of N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride (CID 10268144) is N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride.

What is the SMILES notation for N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride?

The canonical SMILES for N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride is Cc1n(CC(=O)NC2C3CC4CC(C3)CC2C4)cc[n+]1C.[Cl-].

What is the InChIKey of N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride?

The InChIKey is UTKFMONCRGKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-11-19(2)3-4-20(11)10-16(21)18-17-14-6-12-5-13(8-14)9-15(17)7-12;/h3-4,12-15,17H,5-10H2,1-2H3;1H.

What are the key properties of N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride?

N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride has a molecular weight of 323.87 g/mol, XLogP of -1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-adamantyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)acetamide chloride is sourced from PubChem (CID 10268144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10268144 — identifiers, structure, computed properties (public domain)

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