Molecule

ID:43770

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₃
Molecular Mass
288.3416
Exact Mass
288.14739251
Charge
0
InChI
InChI=1S/C16H20N2O3/c1-5-21-15(19)13-11(3)18(4)16(20)17-14(13)12-8-6-10(2)7-9-12/h6-9,14H,5H2,1-4H3,(H,17,20)
InChIKey
QDWNEHTUSUJPNX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)N(C(=O)NC1c1ccc(cc1)C)C
Isomeric Smiles
C1(=C(N(C(=O)NC1c1ccc(cc1)C)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.531758
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9773998
LogD (pH = 7.4)
1.9773995
Log P
1.9773998
Molar Refractivity
81.3718
Polarizability
30.808207
Polar Surface Area
58.64
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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