N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide

C12H24F2N2O2 — CID 114148957

IUPACN-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(CCCN)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-12(2,5-3-6-15)9-16-11(17)4-7-18-8-10(13)14/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyRAXDXHXHXWFCJT-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.54
Rot. Bonds10

About N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide

N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 114148957) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID114148957
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(CCCN)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-12(2,5-3-6-15)9-16-11(17)4-7-18-8-10(13)14/h10H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyRAXDXHXHXWFCJT-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.54
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-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide (CID 114148957) is N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide is CC(C)(CCCN)CNC(=O)CCOCC(F)F.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is RAXDXHXHXWFCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-12(2,5-3-6-15)9-16-11(17)4-7-18-8-10(13)14/h10H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide?
N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 266.33 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 114148957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).