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CID 37924190

PubChem CID
37924190
Structure
CID 37924190_small.png
Molecular Formula
Status
Non-live
Molecular Weight
382.5 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 37924190.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2,3-dihydroindole-5-carboxamide

2.1.2 InChI

InChI=1S/C22H26N2O4/c1-15(25)24-12-10-17-14-18(6-7-19(17)24)22(26)23(2)11-9-16-5-8-20(27-3)21(13-16)28-4/h5-8,13-14H,9-12H2,1-4H3

2.1.3 InChIKey

GQHDGVXNZYHXJK-UHFFFAOYSA-N

2.1.4 SMILES

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

2.2 Molecular Formula

C22H26N2O4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
382.5 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
382.18925731 g/mol
Property Name
Monoisotopic Mass
Property Value
382.18925731 g/mol
Property Name
Topological Polar Surface Area
Property Value
59.1 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
555
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