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CID 46115531

PubChem CID
46115531
Structure
CID 46115531_small.png
Molecular Formula
Status
Non-live
Molecular Weight
305.4 g/mol
Dates
  • Create:
    2010-06-22

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 46115531.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-N-(1-phenylethyl)furan-2-carboxamide

2.1.2 InChI

InChI=1S/C20H19NO2/c1-16(18-11-6-3-7-12-18)21(15-17-9-4-2-5-10-17)20(22)19-13-8-14-23-19/h2-14,16H,15H2,1H3

2.1.3 InChIKey

SNBQZJOTWYUDSG-UHFFFAOYSA-N

2.1.4 SMILES

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CO3

2.2 Molecular Formula

C20H19NO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
305.4 g/mol
Property Name
XLogP3-AA
Property Value
4.2
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
5
Property Name
Exact Mass
Property Value
305.141578849 g/mol
Property Name
Monoisotopic Mass
Property Value
305.141578849 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.5 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
372
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