CID 44746343
PubChem CID
44746343
Structure
Molecular Formula
Status
Non-live
Molecular Weight
434.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(2-phenylbutanoyl)-N-(1-pyridin-4-ylethyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C26H34N4O2/c1-3-22(21-7-5-4-6-8-21)25(32)30-17-23(26(18-30)11-15-28-16-12-26)24(31)29-19(2)20-9-13-27-14-10-20/h4-10,13-14,19,22-23,28H,3,11-12,15-18H2,1-2H3,(H,29,31)
LVWNQRBKWRRSSB-UHFFFAOYSA-N
CCC(C1=CC=CC=C1)C(=O)N2CC(C3(C2)CCNCC3)C(=O)NC(C)C4=CC=NC=C4
C26H34N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
434.6 g/mol
Property Name
XLogP3-AA
Property Value
2.3
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
6
Property Name
Exact Mass
Property Value
434.26817634 g/mol
Property Name
Monoisotopic Mass
Property Value
434.26817634 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.3 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
636
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
3
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
Old substance
CONTENTS