Molecule
ID:64051
General Information
Molecular Formula
C₁₈H₂₄N₂O₃
Molecular Mass
316.39476
Exact Mass
316.17869264
Charge
0
InChI
InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-11-9-18(10-12-20)14(19-15(18)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,21)
InChIKey
DQYJJBNLPZSFIG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(CC1)C(=O)NC2c1ccccc1)OC(C)(C)C
Isomeric Smiles
c1cc(ccc1)C1C2(C(=O)N1)CCN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.541367
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.158219
LogD (pH = 7.4)
2.1582162
Log P
2.158219
Molar Refractivity
87.0865
Polarizability
34.08193
Polar Surface Area
58.64
Rotatable Bonds
3
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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