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CID 45284525

PubChem CID
45284525
Structure
CID 45284525_small.png
Molecular Formula
Status
Non-live
Molecular Weight
288.34 g/mol
Dates
  • Create:
    2010-05-13

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 45284525.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N'-[2-(dimethylamino)-2-(1H-indol-3-yl)ethyl]-N-methyloxamide

2.1.2 InChI

InChI=1S/C15H20N4O2/c1-16-14(20)15(21)18-9-13(19(2)3)11-8-17-12-7-5-4-6-10(11)12/h4-8,13,17H,9H2,1-3H3,(H,16,20)(H,18,21)

2.1.3 InChIKey

WYBKEUCXZNVKKN-UHFFFAOYSA-N

2.1.4 SMILES

CNC(=O)C(=O)NCC(C1=CNC2=CC=CC=C21)N(C)C

2.2 Molecular Formula

C15H20N4O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
288.34 g/mol
Property Name
XLogP3-AA
Property Value
0.9
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
288.15862589 g/mol
Property Name
Monoisotopic Mass
Property Value
288.15862589 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.2 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
386
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

5 Information Sources

CONTENTS