N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide

C13H26F2N2O2 — CID 161286348

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

About N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide

N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide (PubChem CID 161286348) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide
PubChem CID161286348
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC NameN-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide
SMILESCCC(=O)NCC(F)(F)COCCCNC(C)(C)C
InChIInChI=1S/C13H26F2N2O2/c1-5-11(18)16-9-13(14,15)10-19-8-6-7-17-12(2,3)4/h17H,5-10H2,1-4H3,(H,16,18)
InChIKeyRAHMOZSUPVIPLT-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide?
The IUPAC name of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide (CID 161286348) is N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide is CCC(=O)NCC(F)(F)COCCCNC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide?
The InChIKey is RAHMOZSUPVIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-5-11(18)16-9-13(14,15)10-19-8-6-7-17-12(2,3)4/h17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide?
N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]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)propoxy]-2,2-difluoropropyl]propanamide is sourced from PubChem (CID 161286348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).