Molecule

ID:41433

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀N₂O₂
Molecular Mass
330.4644
Exact Mass
330.23072821
Charge
0
InChI
InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-14-11-20(16-22)9-12-21(13-10-20)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKey
XXPJRAVPVRZQPZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC2(CC1)CCN(Cc1ccccc1)CC2)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.09657578
LogD (pH = 7.4)
1.3706495
Log P
3.2066627
Molar Refractivity
97.2367
Polarizability
38.081173
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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