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CID 28908941

PubChem CID
28908941
Structure
CID 28908941_small.png
Molecular Formula
Status
Non-live
Molecular Weight
280.36 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28908941.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(2-amino-4-methoxyphenoxy)-N-pentylpropanamide

2.1.2 InChI

InChI=1S/C15H24N2O3/c1-4-5-6-9-17-15(18)11(2)20-14-8-7-12(19-3)10-13(14)16/h7-8,10-11H,4-6,9,16H2,1-3H3,(H,17,18)/t11-/m1/s1

2.1.3 InChIKey

OBBFUBPPOMJWCX-LLVKDONJSA-N

2.1.4 SMILES

CCCCCNC(=O)[C@@H](C)OC1=C(C=C(C=C1)OC)N

2.2 Molecular Formula

C15H24N2O3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
280.36 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
280.17869263 g/mol
Property Name
Monoisotopic Mass
Property Value
280.17869263 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
286
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