Molecule
ID:36251
General Information
Molecular Formula
C₁₉H₂₆N₂O₃
Molecular Mass
330.42134
Exact Mass
330.1943427
Charge
0
InChI
InChI=1S/C19H26N2O3/c1-12-5-6-13(2)14(11-12)20-7-9-21(10-8-20)17(22)15-16(18(23)24)19(15,3)4/h5-6,11,15-16H,7-10H2,1-4H3,(H,23,24)
InChIKey
GYWXTUMNJYZTFQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C(C1(C)C)C(=O)N1CCN(CC1)c1cc(C)ccc1C
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(c2c(ccc(c2)C)C)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.6105905
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.564109
LogD (pH = 7.4)
-0.15931861
Log P
2.3117285
Molar Refractivity
93.5531
Polarizability
35.525146
Polar Surface Area
60.85
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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