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CID 14548228

PubChem CID
14548228
Structure
CID 14548228_small.png
Molecular Formula
Status
Non-live
Molecular Weight
365.3 g/mol
Dates
  • Create:
    2007-02-09

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 14548228.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-bromophenyl)-N-(1-methyl-1-azaspiro[4.5]decan-6-yl)acetamide

2.1.2 InChI

InChI=1S/C18H25BrN2O/c1-21-12-4-11-18(21)10-3-2-5-16(18)20-17(22)13-14-6-8-15(19)9-7-14/h6-9,16H,2-5,10-13H2,1H3,(H,20,22)

2.1.3 InChIKey

VKXIMAMXUANMDZ-UHFFFAOYSA-N

2.1.4 SMILES

CN1CCCC12CCCCC2NC(=O)CC3=CC=C(C=C3)Br

2.2 Molecular Formula

C18H25BrN2O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
365.3 g/mol
Property Name
XLogP3-AA
Property Value
3.5
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
3
Property Name
Exact Mass
Property Value
364.11503 g/mol
Property Name
Monoisotopic Mass
Property Value
364.11503 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
395
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
2
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