CID 45744842
PubChem CID
45744842
Structure
Molecular Formula
Status
Non-live
Molecular Weight
334.5 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
3-(1H-indol-3-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
InChI=1S/C22H26N2O/c1-15(2)17-8-10-18(11-9-17)16(3)24-22(25)13-12-19-14-23-21-7-5-4-6-20(19)21/h4-11,14-16,23H,12-13H2,1-3H3,(H,24,25)
QIXZFLQJDIWGHF-UHFFFAOYSA-N
CC(C)C1=CC=C(C=C1)C(C)NC(=O)CCC2=CNC3=CC=CC=C32
C22H26N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
334.5 g/mol
Property Name
XLogP3
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
334.204513457 g/mol
Property Name
Monoisotopic Mass
Property Value
334.204513457 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.9 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
428
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
1
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
Old substance
CONTENTS