An official website of the United States government

CID 6843224

PubChem CID
6843224
Structure
CID 6843224_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
349.4 g/mol
Dates
  • Create:
    2006-06-06

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 6843224.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(5-methyl-2-oxo-1-propan-2-ylindol-3-ylidene)amino]-3-phenylpropanamide

2.1.2 InChI

InChI=1S/C21H23N3O2/c1-14(2)24-18-11-9-15(3)13-17(18)20(21(24)26)23-22-19(25)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,25)

2.1.3 InChIKey

HIDLVXHLPKKUGE-UHFFFAOYSA-N

2.1.4 SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=NNC(=O)CCC3=CC=CC=C3)C(C)C

2.2 Molecular Formula

C21H23N3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
349.4 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
349.17902698 g/mol
Property Name
Monoisotopic Mass
Property Value
349.17902698 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.8 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
551
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

5 Information Sources

CONTENTS