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

C17H35FN2O5 — CID 142615728

IUPACN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O5/c1-14(2)17(21)20-13-16(18)15(3)25-12-11-24-10-9-23-8-7-22-6-5-19-4/h14-16,19H,5-13H2,1-4H3,(H,20,21)
InChIKeyUHVRHOSRYGEEKJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.77
Rot. Bonds17

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

N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 142615728) has the molecular formula C17H35FN2O5 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID142615728
Molecular FormulaC17H35FN2O5
Molecular Weight366.47 g/mol
Exact Mass366.25
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCNCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O5/c1-14(2)17(21)20-13-16(18)15(3)25-12-11-24-10-9-23-8-7-22-6-5-19-4/h14-16,19H,5-13H2,1-4H3,(H,20,21)
InChIKeyUHVRHOSRYGEEKJ-UHFFFAOYSA-N
XLogP0.77
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]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-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 142615728) is N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CNCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is UHVRHOSRYGEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FN2O5/c1-14(2)17(21)20-13-16(18)15(3)25-12-11-24-10-9-23-8-7-22-6-5-19-4/h14-16,19H,5-13H2,1-4H3,(H,20,21).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 366.47 g/mol, XLogP of 0.77, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 142615728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).