An official website of the United States government

CID 47468481

PubChem CID
47468481
Structure
CID 47468481_small.png
Molecular Formula
Status
Non-live
Molecular Weight
276.33 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47468481.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

2.1.2 InChI

InChI=1S/C15H20N2O3/c1-11-3-5-13(6-4-11)14(18)16-12(2)15(19)17-7-9-20-10-8-17/h3-6,12H,7-10H2,1-2H3,(H,16,18)

2.1.3 InChIKey

JSQDENAWCZOSDH-UHFFFAOYSA-N

2.1.4 SMILES

CC1=CC=C(C=C1)C(=O)NC(C)C(=O)N2CCOCC2

2.2 Molecular Formula

C15H20N2O3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
276.33 g/mol
Property Name
XLogP3-AA
Property Value
1.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
276.14739250 g/mol
Property Name
Monoisotopic Mass
Property Value
276.14739250 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
345
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