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

C13H27FN2O4 — CID 142616230

IUPACN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide
SMILESCNCCOCCOCCOC(C)C(F)CNC(C)=O
InChIInChI=1S/C13H27FN2O4/c1-11(13(14)10-16-12(2)17)20-9-8-19-7-6-18-5-4-15-3/h11,13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyKWXQQKMWIIHCPU-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.12
Rot. Bonds13

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

N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide (PubChem CID 142616230) has the molecular formula C13H27FN2O4 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide
PubChem CID142616230
Molecular FormulaC13H27FN2O4
Molecular Weight294.37 g/mol
Exact Mass294.20
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide
SMILESCNCCOCCOCCOC(C)C(F)CNC(C)=O
InChIInChI=1S/C13H27FN2O4/c1-11(13(14)10-16-12(2)17)20-9-8-19-7-6-18-5-4-15-3/h11,13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyKWXQQKMWIIHCPU-UHFFFAOYSA-N
XLogP0.12
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
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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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide (CID 142616230) is N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide is CNCCOCCOCCOC(C)C(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide?
The InChIKey is KWXQQKMWIIHCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O4/c1-11(13(14)10-16-12(2)17)20-9-8-19-7-6-18-5-4-15-3/h11,13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide?
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 0.12, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide is sourced from PubChem (CID 142616230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).