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Oprea1_349854,Oprea1_642247,MLS001204478,STK146371,BAS 03087052,SMR000

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摘 要:Oprea1_349854,Oprea1_642247,MLS001204478,STK146371,BAS 03087052,SMR000518257,N-(3,4-Dimethyl-phenyl)-3-morpholin-4-yl-propionamide, N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide,Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)C,InChI: InChI=1/
[Synonyms]
Oprea1_349854
Oprea1_642247
MLS001204478
STK146371
BAS 03087052
SMR000518257
N-(3,4-Dimethyl-phenyl)-3-morpholin-4-yl-propionamide

[Structure]
Oprea1_349854,Oprea1_642247,MLS001204478,STK146371,BAS 03087052,SMR000

[ Properties Computed from Structure]
Molecular Weight262.34738 [g/mol]
Molecular FormulaC15H22N2O2
XLogP1.4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass262.168128
MonoIsotopic Mass262.168128
Topological Polar Surface Area41.6
Heavy Atom Count19
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)C
InChI: InChI=1/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-
17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/f/h16H

 
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