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

C13H27FN2O2 — CID 166733497

IUPACN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C13H27FN2O2/c1-9(2)13(17)16-8-12(14)11(5)18-7-6-15-10(3)4/h9-12,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyXEUXTUSDJKUJMC-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.50
Rot. Bonds9

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

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide (PubChem CID 166733497) has the molecular formula C13H27FN2O2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide
PubChem CID166733497
Molecular FormulaC13H27FN2O2
Molecular Weight262.37 g/mol
Exact Mass262.21
IUPAC NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C13H27FN2O2/c1-9(2)13(17)16-8-12(14)11(5)18-7-6-15-10(3)4/h9-12,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyXEUXTUSDJKUJMC-UHFFFAOYSA-N
XLogP1.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide (CID 166733497) is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide is CC(C)NCCOC(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide?
The InChIKey is XEUXTUSDJKUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2O2/c1-9(2)13(17)16-8-12(14)11(5)18-7-6-15-10(3)4/h9-12,15H,6-8H2,1-5H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide has a molecular weight of 262.37 g/mol, XLogP of 1.50, 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-(propan-2-ylamino)ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 166733497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).