N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide

C19H40FN3O4 — CID 138727075

IUPACN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
SMILESCCNCCOCCNCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C19H40FN3O4/c1-6-21-7-10-25-11-8-22-9-12-26-13-14-27-19(4,5)17(20)15-23-18(24)16(2)3/h16-17,21-22H,6-15H2,1-5H3,(H,23,24)
InChIKeyWJLZWNWTCAZBMG-UHFFFAOYSA-N
MW393.54 g/mol
LogP1.12
Rot. Bonds18

About N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide

N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide (PubChem CID 138727075) has the molecular formula C19H40FN3O4 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
PubChem CID138727075
Molecular FormulaC19H40FN3O4
Molecular Weight393.54 g/mol
Exact Mass393.30
IUPAC NameN-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
SMILESCCNCCOCCNCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C19H40FN3O4/c1-6-21-7-10-25-11-8-22-9-12-26-13-14-27-19(4,5)17(20)15-23-18(24)16(2)3/h16-17,21-22H,6-15H2,1-5H3,(H,23,24)
InChIKeyWJLZWNWTCAZBMG-UHFFFAOYSA-N
XLogP1.12
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-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-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide (CID 138727075) is N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide is CCNCCOCCNCCOCCOC(C)(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
The InChIKey is WJLZWNWTCAZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40FN3O4/c1-6-21-7-10-25-11-8-22-9-12-26-13-14-27-19(4,5)17(20)15-23-18(24)16(2)3/h16-17,21-22H,6-15H2,1-5H3,(H,23,24).
What are the key properties of N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide?
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide has a molecular weight of 393.54 g/mol, XLogP of 1.12, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide is sourced from PubChem (CID 138727075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).