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

C13H27FN2O2 — CID 161286347

IUPACN-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C13H27FN2O2/c1-5-12(17)15-7-6-8-18-10-11(14)9-16-13(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyLPTNHXXOGIYOEB-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.65
Rot. Bonds9

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

N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide (PubChem CID 161286347) has the molecular formula C13H27FN2O2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide
PubChem CID161286347
Molecular FormulaC13H27FN2O2
Molecular Weight262.37 g/mol
Exact Mass262.21
IUPAC NameN-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C13H27FN2O2/c1-5-12(17)15-7-6-8-18-10-11(14)9-16-13(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyLPTNHXXOGIYOEB-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.65
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-(2,2-dimethyl-3-propan-2-yloxypropyl)-2-fluoroacetamide
CID 58303685
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
CID 58792662
2-fluoro-N-(3-methoxy-2,2-dimethylpropyl)acetamide
CID 88936094
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
CID 138727597
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
CID 142615836
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
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-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide
CID 153390661
3-(3-Propoxypropanoylamino)propanoyl fluoride
CID 154676687

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide?
The IUPAC name of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide (CID 161286347) is N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide is CCC(=O)NCCCOCC(F)CNC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide?
The InChIKey is LPTNHXXOGIYOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O2/c1-5-12(17)15-7-6-8-18-10-11(14)9-16-13(2,3)4/h11,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide?
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]propanamide has a molecular weight of 262.37 g/mol, XLogP of 1.65, 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-fluoropropoxy]propyl]propanamide is sourced from PubChem (CID 161286347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).