Molecule

ID:29704

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₃
Molecular Mass
278.34678
Exact Mass
278.16304257
Charge
0
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17(10-9-13(16)18)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,16,18)
InChIKey
LSKYFBDZJCYTOT-UHFFFAOYSA-N
Canonic Smiles
O=C(N(Cc1ccccc1)CCC(=O)N)OC(C)(C)C
Isomeric Smiles
C(=O)(N(CCC(=O)N)Cc1ccccc1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.441563
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7228411
LogD (pH = 7.4)
1.7228411
Log P
1.7228411
Molar Refractivity
76.9073
Polarizability
30.014717
Polar Surface Area
72.63
Rotatable Bonds
7
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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