Molecule

ID:51940

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₂
Molecular Mass
290.40054
Exact Mass
290.19942808
Charge
0
InChI
InChI=1S/C17H26N2O2/c1-14-12-18(13-15-8-6-5-7-9-15)10-11-19(14)16(20)21-17(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKey
ZPDZNQZBTLCTDV-UHFFFAOYSA-N
Canonic Smiles
CC1CN(CCN1C(=O)OC(C)(C)C)Cc1ccccc1
Isomeric Smiles
N1(C(CN(CC1)Cc1ccccc1)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3203183
LogD (pH = 7.4)
2.8425913
Log P
3.0784824
Molar Refractivity
84.77
Polarizability
33.282623
Polar Surface Area
32.78
Rotatable Bonds
4
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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