CID 52438891
PubChem CID
52438891
Structure
Molecular Formula
Status
Non-live
Molecular Weight
363.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
InChI=1S/C22H25N3O2/c1-15-8-4-5-9-17(15)14-25(3)22(27)21(24-16(2)26)12-18-13-23-20-11-7-6-10-19(18)20/h4-11,13,21,23H,12,14H2,1-3H3,(H,24,26)/t21-/m1/s1
NIORBBOKAHKZOE-OAQYLSRUSA-N
CC1=CC=CC=C1CN(C)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)C
C22H25N3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
363.5 g/mol
Property Name
XLogP3
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
363.19467705 g/mol
Property Name
Monoisotopic Mass
Property Value
363.19467705 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.2 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
524
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS