CID 68485528
PubChem CID
68485528
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
385.5 g/mol
Dates
- Create:2012-11-30
Chemical Structure Depiction
2-cyclohexyl-N-[(6-methoxy-2-oxo-1-pentylindol-3-ylidene)amino]acetamide
InChI=1S/C22H31N3O3/c1-3-4-8-13-25-19-15-17(28-2)11-12-18(19)21(22(25)27)24-23-20(26)14-16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,23,26)
VAXDVWBLANFEDF-UHFFFAOYSA-N
CCCCCN1C2=C(C=CC(=C2)OC)C(=NNC(=O)CC3CCCCC3)C1=O
C22H31N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
385.5 g/mol
Property Name
XLogP3-AA
Property Value
5.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
385.23654186 g/mol
Property Name
Monoisotopic Mass
Property Value
385.23654186 g/mol
Property Name
Topological Polar Surface Area
Property Value
71 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
571
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
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS