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CID 47209744

PubChem CID
47209744
Structure
CID 47209744_small.png
Molecular Formula
Status
Non-live
Molecular Weight
276.37 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47209744.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

2.1.2 InChI

InChI=1S/C16H24N2O2/c1-13-5-3-4-6-15(13)11-16(19)17-14(2)12-18-7-9-20-10-8-18/h3-6,14H,7-12H2,1-2H3,(H,17,19)

2.1.3 InChIKey

DLVCIOWGUSAALA-UHFFFAOYSA-N

2.1.4 SMILES

CC1=CC=CC=C1CC(=O)NC(C)CN2CCOCC2

2.2 Molecular Formula

C16H24N2O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
276.37 g/mol
Property Name
XLogP3-AA
Property Value
1.6
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
5
Property Name
Exact Mass
Property Value
276.183778013 g/mol
Property Name
Monoisotopic Mass
Property Value
276.183778013 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
303
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