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CID 60737383

PubChem CID
60737383
Structure
CID 60737383_small.png
Molecular Formula
Status
Non-live
Molecular Weight
219.32 g/mol
Dates
  • Create:
    2012-10-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 60737383.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-2-methyl-N-[(3-methylphenyl)methyl]propanamide

2.1.2 InChI

InChI=1S/C14H21NO/c1-5-15(14(16)11(2)3)10-13-8-6-7-12(4)9-13/h6-9,11H,5,10H2,1-4H3

2.1.3 InChIKey

MOKVFNNNNXKGHG-UHFFFAOYSA-N

2.1.4 SMILES

CCN(CC1=CC=CC(=C1)C)C(=O)C(C)C

2.2 Molecular Formula

C14H21NO

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
219.32 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
219.162314293 g/mol
Property Name
Monoisotopic Mass
Property Value
219.162314293 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
225
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
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