Molecule

ID:48262

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₃
Molecular Mass
292.37336
Exact Mass
292.17869264
Charge
0
InChI
InChI=1S/C16H24N2O3/c1-3-21-16(19)13-4-5-15(14(17)10-13)18(2)11-12-6-8-20-9-7-12/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKey
IOAMLUOGGXNYDZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(CC1CCOCC1)C
Isomeric Smiles
c1(N(CC2CCOCC2)C)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0307977
LogD (pH = 7.4)
2.0343895
Log P
2.0344355
Molar Refractivity
85.2544
Polarizability
31.727694
Polar Surface Area
64.79
Rotatable Bonds
6
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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