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

C22H45FN2O5 — CID 138727266

IUPACN-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCCC(C)(C)NCCOCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C22H45FN2O5/c1-8-21(4,5)25-9-10-27-11-12-28-13-14-29-15-16-30-22(6,7)19(23)17-24-20(26)18(2)3/h18-19,25H,8-17H2,1-7H3,(H,24,26)
InChIKeyXWLJJSGQUYJOKI-UHFFFAOYSA-N
MW436.61 g/mol
LogP2.72
Rot. Bonds19

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

N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 138727266) has the molecular formula C22H45FN2O5 and a molecular weight of 436.61 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID138727266
Molecular FormulaC22H45FN2O5
Molecular Weight436.61 g/mol
Exact Mass436.33
IUPAC NameN-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCCC(C)(C)NCCOCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C22H45FN2O5/c1-8-21(4,5)25-9-10-27-11-12-28-13-14-29-15-16-30-22(6,7)19(23)17-24-20(26)18(2)3/h18-19,25H,8-17H2,1-7H3,(H,24,26)
InChIKeyXWLJJSGQUYJOKI-UHFFFAOYSA-N
XLogP2.72
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 52.72
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-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)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-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 138727266) is N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CCC(C)(C)NCCOCCOCCOCCOC(C)(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is XWLJJSGQUYJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45FN2O5/c1-8-21(4,5)25-9-10-27-11-12-28-13-14-29-15-16-30-22(6,7)19(23)17-24-20(26)18(2)3/h18-19,25H,8-17H2,1-7H3,(H,24,26).
What are the key properties of N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 436.61 g/mol, XLogP of 2.72, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 138727266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).