Molecule
ID:36254
General Information
Molecular Formula
C₁₈H₂₄N₂O₃
Molecular Mass
316.39476
Exact Mass
316.17869264
Charge
0
InChI
InChI=1S/C18H24N2O3/c1-18(2)14(15(18)17(22)23)16(21)20-10-8-19(9-11-20)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,22,23)
InChIKey
QUUAUSDYQPWPQF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1C(C1(C)C)C(=O)O)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(Cc2ccccc2)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.1243854
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.95108044
LogD (pH = 7.4)
-1.3702112
Log P
-0.9645592
Molar Refractivity
87.5848
Polarizability
34.217037
Polar Surface Area
60.85
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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