Molecule

ID:22682

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-2-3-10-21-16-9-4-6-13(11-16)17(20)19-15-8-5-7-14(18)12-15/h4-9,11-12H,2-3,10,18H2,1H3,(H,19,20)
InChIKey
INTJFOISTXFNFF-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)C(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)c1cc(OCCCC)ccc1
Calculated Properties
JChem
Acid pKa
12.789597
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.394681
LogD (pH = 7.4)
3.4023323
Log P
3.4024324
Molar Refractivity
86.6287
Polarizability
32.12062
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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