4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline

C23H30FNO4 — CID 11574930

IUPAC4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOCC[18F])cc2)cc1
InChIInChI=1S/C23H30FNO4/c1-25-22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)29-19-18-28-17-16-27-15-14-26-13-12-24/h2-11,25H,12-19H2,1H3/b3-2+/i24-1
InChIKeyQOQNXOPPRKJEMD-WGABJIRESA-N
MW402.50 g/mol
LogP4.30
Rot. Bonds15

About 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline

4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline (PubChem CID 11574930) has the molecular formula C23H30FNO4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline
PubChem CID11574930
Molecular FormulaC23H30FNO4
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOCC[18F])cc2)cc1
InChIInChI=1S/C23H30FNO4/c1-25-22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)29-19-18-28-17-16-27-15-14-26-13-12-24/h2-11,25H,12-19H2,1H3/b3-2+/i24-1
InChIKeyQOQNXOPPRKJEMD-WGABJIRESA-N
XLogP4.30
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline 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 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline?
The IUPAC name of 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline (CID 11574930) is 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline is CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCC[18F])cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline?
The InChIKey is QOQNXOPPRKJEMD-WGABJIRESA-N. The full InChI is InChI=1S/C23H30FNO4/c1-25-22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)29-19-18-28-17-16-27-15-14-26-13-12-24/h2-11,25H,12-19H2,1H3/b3-2+/i24-1.
What are the key properties of 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline?
4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline has a molecular weight of 402.50 g/mol, XLogP of 4.30, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methyl(18F)aniline is sourced from PubChem (CID 11574930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).