N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide

C₁₈H₂₇N₃O — CID 46489552

About N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide

N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide (PubChem CID 46489552) has the molecular formula C₁₈H₂₇N₃O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

• Compound Name: N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide
• PubChem CID: 46489552
• Molecular Formula: C₁₈H₂₇N₃O
• Molecular Weight: 301.43 g/mol
• Exact Mass: 301.22
• IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide
• SMILES: CC(C(=O)NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1
• InChI: InChI=1S/C18H27N3O/c1-13(21-5-4-19-12-21)17(22)20-3-2-18-9-14-6-15(10-18)8-16(7-14)11-18/h4-5,12-16H,2-3,6-11H2,1H3,(H,20,22)
• InChIKey: CWIBNDSVCKDMFH-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.43
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide?

The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide (CID 46489552) is N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide.

What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide?

The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide is CC(C(=O)NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1.

What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide?

The InChIKey is CWIBNDSVCKDMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13(21-5-4-19-12-21)17(22)20-3-2-18-9-14-6-15(10-18)8-16(7-14)11-18/h4-5,12-16H,2-3,6-11H2,1H3,(H,20,22).

What are the key properties of N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide?

N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 46489552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46489552 — identifiers, structure, computed properties (public domain)

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