[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea

C11H25FN4O3 — CID 169214945

IUPAC[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea
SMILESCNCCOCCNCCOCC(F)CNC(N)=O
InChIInChI=1S/C11H25FN4O3/c1-14-2-5-18-6-3-15-4-7-19-9-10(12)8-16-11(13)17/h10,14-15H,2-9H2,1H3,(H3,13,16,17)
InChIKeyYKDIMORBYRCJDF-UHFFFAOYSA-N
MW280.34 g/mol
LogP-1.16
Rot. Bonds13

About [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea

[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea (PubChem CID 169214945) has the molecular formula C11H25FN4O3 and a molecular weight of 280.34 g/mol. Its IUPAC name is [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea.

Molecular Properties

Compound Name[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea
PubChem CID169214945
Molecular FormulaC11H25FN4O3
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea
SMILESCNCCOCCNCCOCC(F)CNC(N)=O
InChIInChI=1S/C11H25FN4O3/c1-14-2-5-18-6-3-15-4-7-19-9-10(12)8-16-11(13)17/h10,14-15H,2-9H2,1H3,(H3,13,16,17)
InChIKeyYKDIMORBYRCJDF-UHFFFAOYSA-N
XLogP-1.16
TPSA97.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
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 [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea?
The IUPAC name of [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea (CID 169214945) is [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea.
What is the SMILES notation for [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea?
The canonical SMILES for [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea is CNCCOCCNCCOCC(F)CNC(N)=O.
What is the InChIKey of [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea?
The InChIKey is YKDIMORBYRCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FN4O3/c1-14-2-5-18-6-3-15-4-7-19-9-10(12)8-16-11(13)17/h10,14-15H,2-9H2,1H3,(H3,13,16,17).
What are the key properties of [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea?
[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea has a molecular weight of 280.34 g/mol, XLogP of -1.16, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]urea is sourced from PubChem (CID 169214945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).