N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide

C₁₆H₂₈N₂O₃ — CID 174360325

About N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide

N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide (PubChem CID 174360325) has the molecular formula C₁₆H₂₈N₂O₃ and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide.

Molecular Properties

• Compound Name: N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide
• PubChem CID: 174360325
• Molecular Formula: C₁₆H₂₈N₂O₃
• Molecular Weight: 296.41 g/mol
• Exact Mass: 296.21
• IUPAC Name: N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide
• SMILES: CC(CN)COCCNC(=O)COC1C#CCCCCC1
• InChI: InChI=1S/C16H28N2O3/c1-14(11-17)12-20-10-9-18-16(19)13-21-15-7-5-3-2-4-6-8-15/h14-15H,2-5,7,9-13,17H2,1H3,(H,18,19)
• InChIKey: XUGLTFPWGUCGLC-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 73.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.41
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide?

The IUPAC name of N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide (CID 174360325) is N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide.

What is the SMILES notation for N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide?

The canonical SMILES for N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide is CC(CN)COCCNC(=O)COC1C#CCCCCC1.

What is the InChIKey of N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide?

The InChIKey is XUGLTFPWGUCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-14(11-17)12-20-10-9-18-16(19)13-21-15-7-5-3-2-4-6-8-15/h14-15H,2-5,7,9-13,17H2,1H3,(H,18,19).

What are the key properties of N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide?

N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide has a molecular weight of 296.41 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide is sourced from PubChem (CID 174360325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174360325 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.