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

C10H21FN2O2 — CID 142623140

IUPACN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide
SMILESCCCC(=O)NCC(F)COCCNC
InChIInChI=1S/C10H21FN2O2/c1-3-4-10(14)13-7-9(11)8-15-6-5-12-2/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVYHVKSIYKAFROB-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.48
Rot. Bonds9

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

N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide (PubChem CID 142623140) 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]butanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide
PubChem CID142623140
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide
SMILESCCCC(=O)NCC(F)COCCNC
InChIInChI=1S/C10H21FN2O2/c1-3-4-10(14)13-7-9(11)8-15-6-5-12-2/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVYHVKSIYKAFROB-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.48
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]butanamide?
The IUPAC name of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide (CID 142623140) is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide is CCCC(=O)NCC(F)COCCNC.
What is the InChIKey of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide?
The InChIKey is VYHVKSIYKAFROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-3-4-10(14)13-7-9(11)8-15-6-5-12-2/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide?
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]butanamide has a molecular weight of 220.29 g/mol, XLogP of 0.48, 9 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]butanamide is sourced from PubChem (CID 142623140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).