Molecule

ID:44100

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₃
Molecular Mass
330.42134
Exact Mass
330.1943427
Charge
0
InChI
InChI=1S/C19H26N2O3/c1-7-24-17(22)15-12(2)21(6)18(23)20-16(15)13-8-10-14(11-9-13)19(3,4)5/h8-11,16H,7H2,1-6H3,(H,20,23)
InChIKey
JUMNDMNNZVEUNH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)N(C(=O)NC1c1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
C1(=C(N(C(=O)NC1c1ccc(C(C)(C)C)cc1)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.642494
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0090346
LogD (pH = 7.4)
3.0090344
Log P
3.0090346
Molar Refractivity
94.9965
Polarizability
36.32392
Polar Surface Area
58.64
Rotatable Bonds
5
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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