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CID 51260489

PubChem CID
51260489
Structure
CID 51260489_small.png
Molecular Formula
Status
Non-live
Molecular Weight
351.5 g/mol
Dates
  • Create:
    2011-05-03

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51260489.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(4-fluorophenyl)methyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2.1.2 InChI

InChI=1S/C19H30FN3O2/c1-15(2)11-23-8-9-25-18(13-23)10-21-19(24)14-22(3)12-16-4-6-17(20)7-5-16/h4-7,15,18H,8-14H2,1-3H3,(H,21,24)

2.1.3 InChIKey

RXKNWJWPNDBWSR-UHFFFAOYSA-N

2.1.4 SMILES

CC(C)CN1CCOC(C1)CNC(=O)CN(C)CC2=CC=C(C=C2)F

2.2 Molecular Formula

C19H30FN3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
351.5 g/mol
Property Name
XLogP3-AA
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
351.23220537 g/mol
Property Name
Monoisotopic Mass
Property Value
351.23220537 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.8 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
400
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