Molecule

ID:66622

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈N₂O₃
Molecular Mass
284.39442
Exact Mass
284.20999277
Charge
0
InChI
InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)16-7-5-15(4,6-8-16)17-9-11-19-12-10-17/h5-12H2,1-4H3
InChIKey
ZHDZOXHJFQEDTR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)(C)N1CCOCC1)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)(N1CCOCC1)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.8689416
LogD (pH = 7.4)
0.79115367
Log P
1.179197
Molar Refractivity
78.8523
Polarizability
31.029112
Polar Surface Area
42.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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