Molecule

ID:111388

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKey
OPTBBAGXQYOFTL-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccccc1C(=O)N(CC)CC)CC
Isomeric Smiles
CCN(CC)C(=O)c1ccccc1C(=O)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9964621
LogD (pH = 7.4)
1.9964625
Log P
1.9964625
Molar Refractivity
82.796
Polarizability
30.723297
Polar Surface Area
40.62
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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