N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide

C₁₀H₂₀F₂N₂O₂ — CID 58792662

About N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide

N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide (PubChem CID 58792662) has the molecular formula C₁₀H₂₀F₂N₂O₂ and a molecular weight of 238.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
• PubChem CID: 58792662
• Molecular Formula: C₁₀H₂₀F₂N₂O₂
• Molecular Weight: 238.28 g/mol
• Exact Mass: 238.15
• IUPAC Name: N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
• SMILES: CC(C)(COC(F)CF)C(=O)NCCCN
• InChI: InChI=1S/C10H20F2N2O2/c1-10(2,7-16-8(12)6-11)9(15)14-5-3-4-13/h8H,3-7,13H2,1-2H3,(H,14,15)
• InChIKey: RBALHMBGGYNVTJ-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.28
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide?

The IUPAC name of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide (CID 58792662) is N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide.

What is the SMILES notation for N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide?

The canonical SMILES for N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide is CC(C)(COC(F)CF)C(=O)NCCCN.

What is the InChIKey of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide?

The InChIKey is RBALHMBGGYNVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-10(2,7-16-8(12)6-11)9(15)14-5-3-4-13/h8H,3-7,13H2,1-2H3,(H,14,15).

What are the key properties of N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide?

N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide has a molecular weight of 238.28 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide is sourced from PubChem (CID 58792662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58792662 — identifiers, structure, computed properties (public domain)

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