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

C10H20F2N2O2 — CID 58792662

IUPACN-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
SMILESCC(C)(COC(F)CF)C(=O)NCCCN
InChIInChI=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)
InChIKeyRBALHMBGGYNVTJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.76
Rot. Bonds8

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 NameN-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
PubChem CID58792662
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC NameN-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
SMILESCC(C)(COC(F)CF)C(=O)NCCCN
InChIInChI=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)
InChIKeyRBALHMBGGYNVTJ-UHFFFAOYSA-N
XLogP0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).