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CID 33183051

PubChem CID
33183051
Structure
CID 33183051_small.png
Molecular Formula
Status
Non-live
Molecular Weight
359.4 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 33183051.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3,4-dimethoxybenzamide

2.1.2 InChI

InChI=1S/C20H25NO5/c1-6-21(13-14-7-9-16(23-2)18(11-14)25-4)20(22)15-8-10-17(24-3)19(12-15)26-5/h7-12H,6,13H2,1-5H3

2.1.3 InChIKey

BDUKXVBQFMTIHE-UHFFFAOYSA-N

2.1.4 SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)OC)OC

2.2 Molecular Formula

C20H25NO5

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
359.4 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
359.17327290 g/mol
Property Name
Monoisotopic Mass
Property Value
359.17327290 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.2 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
432
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