Molecule

ID:29298

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₃
Molecular Mass
391.50266
Exact Mass
391.21474379
Charge
0
InChI
InChI=1S/C25H29NO3/c1-20(2)19-29-25-14-10-22(11-15-25)26-18-21-8-12-24(13-9-21)28-17-16-27-23-6-4-3-5-7-23/h3-15,20,26H,16-19H2,1-2H3
InChIKey
YPDFCVLCLALJOR-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)NCc1ccc(cc1)OCCOc1ccccc1)C
Isomeric Smiles
N(c1ccc(OCC(C)C)cc1)Cc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.6373305
LogD (pH = 7.4)
5.7419944
Log P
5.7435074
Molar Refractivity
118.0872
Polarizability
45.599205
Polar Surface Area
39.72
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
4-(2-methylpropoxy)-N-{[4-(2-phenoxyethoxy)phenyl]methyl}aniline|4-Isobutoxy-N-[4-(2-phenoxyethoxy)benzyl]aniline|4-(2-methylpropoxy)-N-{[4-(2-phenoxyethoxy)phenyl]methyl}aniline | Molfinder