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CID 30059963

PubChem CID
30059963
Structure
CID 30059963_small.png
Molecular Formula
Status
Non-live
Molecular Weight
277.36 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 30059963.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-aminophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide

2.1.2 InChI

InChI=1S/C15H23N3O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)/t11-,12-/m1/s1

2.1.3 InChIKey

IBHRQFAHADJFCF-VXGBXAGGSA-N

2.1.4 SMILES

C[C@@H]1CN(C[C@H](O1)C)CCC(=O)NC2=CC=C(C=C2)N

2.2 Molecular Formula

C15H23N3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
277.36 g/mol
Property Name
XLogP3-AA
Property Value
0.9
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
4
Property Name
Exact Mass
Property Value
277.17902698 g/mol
Property Name
Monoisotopic Mass
Property Value
277.17902698 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
306
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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