An official website of the United States government

CID 44734062

PubChem CID
44734062
Structure
CID 44734062_small.png
Molecular Formula
Status
Non-live
Molecular Weight
408.6 g/mol
Dates
  • Create:
    2010-03-14

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 44734062.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpentanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide

2.1.2 InChI

InChI=1S/C23H44N4O2/c1-7-8-19(6)22(29)26-15-20(23(16-26)9-11-24-12-10-23)21(28)25-13-14-27(17(2)3)18(4)5/h17-20,24H,7-16H2,1-6H3,(H,25,28)

2.1.3 InChIKey

GZMQJTDLWAYYIU-UHFFFAOYSA-N

2.1.4 SMILES

CCCC(C)C(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCN(C(C)C)C(C)C

2.2 Molecular Formula

C23H44N4O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
408.6 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
408.34642666 g/mol
Property Name
Monoisotopic Mass
Property Value
408.34642666 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.7 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
535
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