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CID 51783427

PubChem CID
51783427
Structure
CID 51783427_small.png
Molecular Formula
Status
Non-live
Molecular Weight
338.5 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51783427.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(1R)-1-cyclohexyl-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-methylpropanamide

2.1.2 InChI

InChI=1S/C20H38N2O2/c1-8-16(23)22(7)17(15-12-10-9-11-13-15)18(24)21-20(5,6)14-19(2,3)4/h15,17H,8-14H2,1-7H3,(H,21,24)/t17-/m1/s1

2.1.3 InChIKey

VWWJDTNJSXQWFK-QGZVFWFLSA-N

2.1.4 SMILES

CCC(=O)N(C)[C@H](C1CCCCC1)C(=O)NC(C)(C)CC(C)(C)C

2.2 Molecular Formula

C20H38N2O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
338.5 g/mol
Property Name
XLogP3-AA
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
338.293328459 g/mol
Property Name
Monoisotopic Mass
Property Value
338.293328459 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
431
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