CID 44746351
PubChem CID
44746351
Structure
Molecular Formula
Status
Non-live
Molecular Weight
420.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(3,4-dimethylbenzoyl)-N-(1-pyridin-4-ylethyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C25H32N4O2/c1-17-4-5-21(14-18(17)2)24(31)29-15-22(25(16-29)8-12-27-13-9-25)23(30)28-19(3)20-6-10-26-11-7-20/h4-7,10-11,14,19,22,27H,8-9,12-13,15-16H2,1-3H3,(H,28,30)
LSEGDIWTRFGGPE-UHFFFAOYSA-N
CC1=C(C=C(C=C1)C(=O)N2CC(C3(C2)CCNCC3)C(=O)NC(C)C4=CC=NC=C4)C
C25H32N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
420.5 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
4
Property Name
Exact Mass
Property Value
420.25252628 g/mol
Property Name
Monoisotopic Mass
Property Value
420.25252628 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.3 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
641
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