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

C20H41FN2O5 — CID 155459911

IUPACN-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
SMILESCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C20H41FN2O5/c1-16(2)22-7-8-25-9-10-26-11-12-27-13-14-28-17(3)18(21)15-23-19(24)20(4,5)6/h16-18,22H,7-15H2,1-6H3,(H,23,24)
InChIKeyQXGYOMXLFTXDEY-UHFFFAOYSA-N
MW408.56 g/mol
LogP1.94
Rot. Bonds17

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

N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide (PubChem CID 155459911) has the molecular formula C20H41FN2O5 and a molecular weight of 408.56 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
PubChem CID155459911
Molecular FormulaC20H41FN2O5
Molecular Weight408.56 g/mol
Exact Mass408.30
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide
SMILESCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C
InChIInChI=1S/C20H41FN2O5/c1-16(2)22-7-8-25-9-10-26-11-12-27-13-14-28-17(3)18(21)15-23-19(24)20(4,5)6/h16-18,22H,7-15H2,1-6H3,(H,23,24)
InChIKeyQXGYOMXLFTXDEY-UHFFFAOYSA-N
XLogP1.94
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 51.94
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-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide 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-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide (CID 155459911) is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide is CC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
The InChIKey is QXGYOMXLFTXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41FN2O5/c1-16(2)22-7-8-25-9-10-26-11-12-27-13-14-28-17(3)18(21)15-23-19(24)20(4,5)6/h16-18,22H,7-15H2,1-6H3,(H,23,24).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide has a molecular weight of 408.56 g/mol, XLogP of 1.94, 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-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155459911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).