CID 44746175
PubChem CID
44746175
Structure
Molecular Formula
Status
Non-live
Molecular Weight
432.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(3,4-dimethoxybenzoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C22H32N4O5/c1-25(2)19(27)12-24-20(28)16-13-26(14-22(16)7-9-23-10-8-22)21(29)15-5-6-17(30-3)18(11-15)31-4/h5-6,11,16,23H,7-10,12-14H2,1-4H3,(H,24,28)
COPUZINRERJYCX-UHFFFAOYSA-N
CN(C)C(=O)CNC(=O)C1CN(CC12CCNCC2)C(=O)C3=CC(=C(C=C3)OC)OC
C22H32N4O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
432.5 g/mol
Property Name
XLogP3-AA
Property Value
0.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
432.23727013 g/mol
Property Name
Monoisotopic Mass
Property Value
432.23727013 g/mol
Property Name
Topological Polar Surface Area
Property Value
100 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
664
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
Old substance
CONTENTS