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CID 26619046

PubChem CID
26619046
Structure
CID 26619046_small.png
Molecular Formula
Status
Non-live
Molecular Weight
326.4 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 26619046.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-methylbenzamide

2.1.2 InChI

InChI=1S/C19H22N2O3/c1-13-8-10-15(11-9-13)19(23)20-12-18(22)21-14(2)16-6-4-5-7-17(16)24-3/h4-11,14H,12H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1

2.1.3 InChIKey

FJIAQEXZCXGGIA-AWEZNQCLSA-N

2.1.4 SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](C)C2=CC=CC=C2OC

2.2 Molecular Formula

C19H22N2O3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
326.4 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
326.16304257 g/mol
Property Name
Monoisotopic Mass
Property Value
326.16304257 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.4 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
419
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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