Molecule
ID:941158
General Information
Molecular Formula
C₂₁H₂₆N₂O₂
Molecular Mass
338.4433455467224
Exact Mass
338.1994278430939
Charge
0
InChI
InChI=1/C21H26N2O2/c1-16(2)14-18-10-6-7-11-19(18)21(25)23-15-20(24)22-13-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
RXDCSZAEBQWSFL-UHFFFAOYNA-N
Canonic Smiles
CC(C)Cc1ccccc1C(=O)NCC(=O)NCCc2ccccc2
Isomeric Smiles
CC(C)Cc1ccccc1C(=O)NCC(=O)NCCc1ccccc1
Calculated Properties
Provided by Enamine
CLogP
3.72
H Donor
2
Polar Surface Area
58.20
Rotatable Bonds
8
JChem
Log P
3.64
LogD (pH = 7.4)
3.64
LogD (pH = 5.5)
3.64
Rotatable Bonds
8
H Donor
2
H Acceptors
2
Polar Surface Area
58.20
Molar Refractivity
100
Polarizability
39.18
Acid pKa
15.07
Lipinski's Rule of Five
true
LOG S
-5.70
Data Source
Commercial Catalog
Names and Identifiers
IUPAC Traditional name
2-{[2-(2-methylpropyl)phenyl]formamido}-N-(2-phenylethyl)acetamide
IUPAC name
2-{[2-(2-methylpropyl)phenyl]formamido}-N-(2-phenylethyl)acetamide
Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity