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

C12H25FN2O2 — CID 155459713

IUPACN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C12H25FN2O2/c1-9(2)12(16)15-7-11(13)8-17-6-5-14-10(3)4/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyYPIACDWVBYJJSV-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.11
Rot. Bonds9

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

N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide (PubChem CID 155459713) has the molecular formula C12H25FN2O2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide
PubChem CID155459713
Molecular FormulaC12H25FN2O2
Molecular Weight248.34 g/mol
Exact Mass248.19
IUPAC NameN-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C12H25FN2O2/c1-9(2)12(16)15-7-11(13)8-17-6-5-14-10(3)4/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyYPIACDWVBYJJSV-UHFFFAOYSA-N
XLogP1.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.11
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]propyl]-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]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide (CID 155459713) is N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide is CC(C)NCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide?
The InChIKey is YPIACDWVBYJJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O2/c1-9(2)12(16)15-7-11(13)8-17-6-5-14-10(3)4/h9-11,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]propyl]-2-methylpropanamide has a molecular weight of 248.34 g/mol, XLogP of 1.11, 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]propyl]-2-methylpropanamide is sourced from PubChem (CID 155459713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).