N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide

C14H29FN2O5 — CID 155739550

IUPACN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCNCCOCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C14H29FN2O5/c1-13(18)17-11-14(15)12-22-10-9-21-8-7-20-6-5-19-4-3-16-2/h14,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyHITGTXWDUFRXAX-UHFFFAOYSA-N
MW324.39 g/mol
LogP-0.25
Rot. Bonds16

About N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide

N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide (PubChem CID 155739550) has the molecular formula C14H29FN2O5 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide
PubChem CID155739550
Molecular FormulaC14H29FN2O5
Molecular Weight324.39 g/mol
Exact Mass324.21
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCNCCOCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C14H29FN2O5/c1-13(18)17-11-14(15)12-22-10-9-21-8-7-20-6-5-19-4-3-16-2/h14,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyHITGTXWDUFRXAX-UHFFFAOYSA-N
XLogP-0.25
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide (CID 155739550) is N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide is CNCCOCCOCCOCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide?
The InChIKey is HITGTXWDUFRXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O5/c1-13(18)17-11-14(15)12-22-10-9-21-8-7-20-6-5-19-4-3-16-2/h14,16H,3-12H2,1-2H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of -0.25, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 155739550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).