Molecule

ID:48261

General Information
Structure
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-3-20(13-14-8-6-5-7-9-14)17-11-10-15(12-16(17)19)18(21)22-4-2/h5-12H,3-4,13,19H2,1-2H3
InChIKey
FKFQBMVVONMOEM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(Cc1ccccc1)CC
Isomeric Smiles
c1(N(Cc2ccccc2)CC)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6932335
LogD (pH = 7.4)
3.6939209
Log P
3.6939297
Molar Refractivity
91.3221
Polarizability
33.989105
Polar Surface Area
55.56
Rotatable Bonds
7
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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