CID 53456830
PubChem CID
53456830
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.34 g/mol
Dates
- Create:2011-10-30
Chemical Structure Depiction
N-(4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-ium-4-yl)acetamide
InChI=1S/C15H19N3O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-14-5-3-13(7-16)4-6-14/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)/p+1
GICCWKIIRJHDFI-UHFFFAOYSA-O
CC1C[NH+](CC(O1)C)CC(=O)NC2=CC=C(C=C2)C#N
C15H20N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.34 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
274.15555189 g/mol
Property Name
Monoisotopic Mass
Property Value
274.15555189 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
372
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS