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

C10H21FN2O2 — CID 142615836

IUPACN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C10H21FN2O2/c1-8(2)10(14)13-6-9(11)7-15-5-4-12-3/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyUDDWHSXEEYLVLJ-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.33
Rot. Bonds8

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

N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide (PubChem CID 142615836) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
PubChem CID142615836
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide
SMILESCNCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C10H21FN2O2/c1-8(2)10(14)13-6-9(11)7-15-5-4-12-3/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyUDDWHSXEEYLVLJ-UHFFFAOYSA-N
XLogP0.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(methylamino)ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide (CID 142615836) is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide is CNCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide?
The InChIKey is UDDWHSXEEYLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-8(2)10(14)13-6-9(11)7-15-5-4-12-3/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide has a molecular weight of 220.29 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 142615836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).