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

C12H25FN2O4 — CID 142616140

IUPACN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCNCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C12H25FN2O4/c1-11(16)15-9-12(13)10-19-8-7-18-6-5-17-4-3-14-2/h12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyCXVJFDHEEYIPMZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP-0.27
Rot. Bonds13

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

N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide (PubChem CID 142616140) has the molecular formula C12H25FN2O4 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
PubChem CID142616140
Molecular FormulaC12H25FN2O4
Molecular Weight280.34 g/mol
Exact Mass280.18
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCNCCOCCOCCOCC(F)CNC(C)=O
InChIInChI=1S/C12H25FN2O4/c1-11(16)15-9-12(13)10-19-8-7-18-6-5-17-4-3-14-2/h12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyCXVJFDHEEYIPMZ-UHFFFAOYSA-N
XLogP-0.27
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-0.27
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]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide (CID 142616140) is N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide is CNCCOCCOCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
The InChIKey is CXVJFDHEEYIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O4/c1-11(16)15-9-12(13)10-19-8-7-18-6-5-17-4-3-14-2/h12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide has a molecular weight of 280.34 g/mol, XLogP of -0.27, 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]propyl]acetamide is sourced from PubChem (CID 142616140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).