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

C13H27FN2O3 — CID 142615905

IUPACN-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCNCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C13H27FN2O3/c1-10(2)13(17)16-9-12(14)11(3)19-8-7-18-6-5-15-4/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyOBPBDAKTBNIJPF-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.74
Rot. Bonds11

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

N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 142615905) has the molecular formula C13H27FN2O3 and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID142615905
Molecular FormulaC13H27FN2O3
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC NameN-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCNCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C13H27FN2O3/c1-10(2)13(17)16-9-12(14)11(3)19-8-7-18-6-5-15-4/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyOBPBDAKTBNIJPF-UHFFFAOYSA-N
XLogP0.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 142615905) is N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide is CNCCOCCOC(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is OBPBDAKTBNIJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O3/c1-10(2)13(17)16-9-12(14)11(3)19-8-7-18-6-5-15-4/h10-12,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 278.37 g/mol, XLogP of 0.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 142615905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).