Molecule

ID:50045

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₃
Molecular Mass
278.34678
Exact Mass
278.16304257
Charge
0
InChI
InChI=1S/C15H22N2O3/c1-2-20-15(18)12-3-4-14(13(16)9-12)17-10-11-5-7-19-8-6-11/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKey
KQKNZIMWDIKGEY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)NCC1CCOCC1
Isomeric Smiles
C(=O)(c1cc(c(NCC2CCOCC2)cc1)N)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.390672
LogD (pH = 7.4)
1.3990617
Log P
1.3991698
Molar Refractivity
81.0196
Polarizability
29.890165
Polar Surface Area
73.58
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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