N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide

C13H27FN2O4 — CID 142623240

IUPACN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
SMILESCCNCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C13H27FN2O4/c1-3-15-4-5-18-6-7-19-8-9-20-11-13(14)10-16-12(2)17/h13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyXXNYEWSFIMVMHW-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.12
Rot. Bonds14

About N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide

N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide (PubChem CID 142623240) has the molecular formula C13H27FN2O4 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
PubChem CID142623240
Molecular FormulaC13H27FN2O4
Molecular Weight294.37 g/mol
Exact Mass294.20
IUPAC NameN-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
SMILESCCNCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C13H27FN2O4/c1-3-15-4-5-18-6-7-19-8-9-20-11-13(14)10-16-12(2)17/h13,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyXXNYEWSFIMVMHW-UHFFFAOYSA-N
XLogP0.12
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-acetamidoethoxy)propyl-trimethyl-azanium Chloride
CID 178377
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 59874137
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
CID 88856967
2,2,2-trifluoro-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 117790512
N-(3-(2-(2-(3-Aminopropoxy)ethoxy)ethoxy)propyl)-2,2,2-trifluoroacetamide
CID 121448783
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
4-[2-[2-[2-[(4-Fluoro-4-oxobutanoyl)amino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl fluoride
CID 135291935
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727027
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
CID 138727067
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
The IUPAC name of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide (CID 142623240) is N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
The canonical SMILES for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide is CCNCCOCCOCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
The InChIKey is XXNYEWSFIMVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O4/c1-3-15-4-5-18-6-7-19-8-9-20-11-13(14)10-16-12(2)17/h13,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide?
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 0.12, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide is sourced from PubChem (CID 142623240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).