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CID 36421475

PubChem CID
36421475
Structure
CID 36421475_small.png
Molecular Formula
Status
Non-live
Molecular Weight
368.5 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 36421475.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzhydryl-3-(1H-indol-3-yl)-N-methylpropanamide

2.1.2 InChI

InChI=1S/C25H24N2O/c1-27(24(28)17-16-21-18-26-23-15-9-8-14-22(21)23)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,18,25-26H,16-17H2,1H3

2.1.3 InChIKey

SUCQIGFXEWWQKX-UHFFFAOYSA-N

2.1.4 SMILES

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)CCC3=CNC4=CC=CC=C43

2.2 Molecular Formula

C25H24N2O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
368.5 g/mol
Property Name
XLogP3
Property Value
4.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
368.188863393 g/mol
Property Name
Monoisotopic Mass
Property Value
368.188863393 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.1 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
477
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
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS