2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

C₁₃H₂₂N₂O₂ — CID 106277896

About 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide

2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (PubChem CID 106277896) has the molecular formula C₁₃H₂₂N₂O₂ and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
• PubChem CID: 106277896
• Molecular Formula: C₁₃H₂₂N₂O₂
• Molecular Weight: 238.33 g/mol
• Exact Mass: 238.17
• IUPAC Name: 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide
• SMILES: CC(C)(CN1C2CCCC1CC(=O)C2)C(N)=O
• InChI: InChI=1S/C13H22N2O2/c1-13(2,12(14)17)8-15-9-4-3-5-10(15)7-11(16)6-9/h9-10H,3-8H2,1-2H3,(H2,14,17)
• InChIKey: ODMBPUVZAJCACE-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 63.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.33
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?

The IUPAC name of 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide (CID 106277896) is 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide.

What is the SMILES notation for 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?

The canonical SMILES for 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is CC(C)(CN1C2CCCC1CC(=O)C2)C(N)=O.

What is the InChIKey of 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?

The InChIKey is ODMBPUVZAJCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,12(14)17)8-15-9-4-3-5-10(15)7-11(16)6-9/h9-10H,3-8H2,1-2H3,(H2,14,17).

What are the key properties of 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide?

2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propanamide is sourced from PubChem (CID 106277896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106277896 — identifiers, structure, computed properties (public domain)

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