Molecule

ID:22698

General Information
Structure
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-4-13(2)16-7-5-6-8-18(16)23-12-19(22)21-17-11-15(20)10-9-14(17)3/h5-11,13H,4,12,20H2,1-3H3,(H,21,22)
InChIKey
QIVZTEHEGAIGRH-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCC(=O)Nc1cc(N)ccc1C)C
Isomeric Smiles
c1(NC(=O)COc2c(C(CC)C)cccc2)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.586761
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.0786314
LogD (pH = 7.4)
4.101629
Log P
4.101933
Molar Refractivity
95.4165
Polarizability
35.676846
Polar Surface Area
64.35
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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