Molecule

ID:58895

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c1-2-21-15(19)12-8-10-14(11-9-12)18-16(20)17-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H2,17,18,20)
InChIKey
RTTJNTGJMIGJIX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)NC(=O)NC1CCCCC1
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)OCC)cc1)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
12.772829
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.260642
LogD (pH = 7.4)
3.2606404
Log P
3.260642
Molar Refractivity
82.2825
Polarizability
31.090414
Polar Surface Area
67.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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