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CID 44870629

PubChem CID
44870629
Structure
CID 44870629_small.png
Molecular Formula
Status
Non-live
Molecular Weight
343.4 g/mol
Dates
  • Create:
    2010-03-23

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 44870629.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-N-benzyl-N-(4-methoxyphenyl)-3-phenylprop-2-enamide

2.1.2 InChI

InChI=1S/C23H21NO2/c1-26-22-15-13-21(14-16-22)24(18-20-10-6-3-7-11-20)23(25)17-12-19-8-4-2-5-9-19/h2-17H,18H2,1H3/b17-12+

2.1.3 InChIKey

HAXYWLGOMAKEAP-SFQUDFHCSA-N

2.1.4 SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

2.2 Molecular Formula

C23H21NO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
343.4 g/mol
Property Name
XLogP3-AA
Property Value
4.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
343.157228913 g/mol
Property Name
Monoisotopic Mass
Property Value
343.157228913 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.5 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
441
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
1
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