Molecule

ID:68289

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₂
Molecular Mass
264.36326
Exact Mass
264.18377802
Charge
0
InChI
InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-10-15(4,5)11-6-8-12(16)9-7-11/h6-9H,10,16H2,1-5H3,(H,17,18)
InChIKey
VAEAYMRALDLXDJ-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC(c1ccc(cc1)N)(C)C
Isomeric Smiles
C(=O)(NCC(C)(C)c1ccc(cc1)N)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.617806
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.767838
LogD (pH = 7.4)
2.7934835
Log P
2.7938206
Molar Refractivity
77.7295
Polarizability
29.939714
Polar Surface Area
64.35
Rotatable Bonds
5
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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