Molecule

ID:81963

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₂
Molecular Mass
296.3636
Exact Mass
296.15247789
Charge
0
InChI
InChI=1S/C18H20N2O2/c1-19(2)15-9-5-13(6-10-15)17(21)18(22)14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3
InChIKey
AVFUVYIDYFXFSX-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)N(C)C)C
Isomeric Smiles
O=C(c1ccc(cc1)N(C)C)C(=O)c1ccc(cc1)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4582112
LogD (pH = 7.4)
3.4607813
Log P
3.4608142
Molar Refractivity
90.93
Polarizability
33.3455
Polar Surface Area
40.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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