N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide

C13H26F2N2O2 — CID 161286350

IUPACN-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)(F)CNC(C)(C)C
InChIInChI=1S/C13H26F2N2O2/c1-5-11(18)16-7-6-8-19-10-13(14,15)9-17-12(2,3)4/h17H,5-10H2,1-4H3,(H,16,18)
InChIKeyWUGIWXKRKUTZKQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.94
Rot. Bonds9

About N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide

N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide (PubChem CID 161286350) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide
PubChem CID161286350
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC NameN-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)(F)CNC(C)(C)C
InChIInChI=1S/C13H26F2N2O2/c1-5-11(18)16-7-6-8-19-10-13(14,15)9-17-12(2,3)4/h17H,5-10H2,1-4H3,(H,16,18)
InChIKeyWUGIWXKRKUTZKQ-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.94
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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Related Compounds

N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide
CID 119052926
N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide
CID 21029229
N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
CID 58502648
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
CID 58792662
N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-2,2,2-trifluoroacetamide
CID 143883247
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-ethoxyacetamide
CID 146574408
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide
CID 155459713
N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]-2-fluoropropyl]-2-hydroxyacetamide
CID 156047568
N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]-2-hydroxyacetamide
CID 156047570
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2,2-difluoropropyl]-2-hydroxyacetamide
CID 156047572

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide?
The IUPAC name of N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide (CID 161286350) is N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide is CCC(=O)NCCCOCC(F)(F)CNC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide?
The InChIKey is WUGIWXKRKUTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-5-11(18)16-7-6-8-19-10-13(14,15)9-17-12(2,3)4/h17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide?
N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide has a molecular weight of 280.36 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(tert-butylamino)-2,2-difluoropropoxy]propyl]propanamide is sourced from PubChem (CID 161286350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).