CID 44735461
PubChem CID
44735461
Structure
Molecular Formula
Status
Non-live
Molecular Weight
401.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(3,4-dimethylbenzoyl)-N-(1-methoxybutan-2-yl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C23H35N3O3/c1-5-19(14-29-4)25-21(27)20-13-26(15-23(20)8-10-24-11-9-23)22(28)18-7-6-16(2)17(3)12-18/h6-7,12,19-20,24H,5,8-11,13-15H2,1-4H3,(H,25,27)
QIQKRASQGNFZMD-UHFFFAOYSA-N
CCC(COC)NC(=O)C1CN(CC12CCNCC2)C(=O)C3=CC(=C(C=C3)C)C
C23H35N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
401.5 g/mol
Property Name
XLogP3-AA
Property Value
2.2
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
401.26784199 g/mol
Property Name
Monoisotopic Mass
Property Value
401.26784199 g/mol
Property Name
Topological Polar Surface Area
Property Value
70.7 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
576
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
Old substance
CONTENTS