CID 44745015
PubChem CID
44745015
Structure
Molecular Formula
Status
Non-live
Molecular Weight
420.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(2,5-dimethylphenyl)ethyl]-2-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C25H32N4O2/c1-18-3-4-19(2)21(15-18)7-12-28-23(30)22-16-29(17-25(22)8-13-27-14-9-25)24(31)20-5-10-26-11-6-20/h3-6,10-11,15,22,27H,7-9,12-14,16-17H2,1-2H3,(H,28,30)
XHBOPDDVUAAYKT-UHFFFAOYSA-N
CC1=CC(=C(C=C1)C)CCNC(=O)C2CN(CC23CCNCC3)C(=O)C4=CC=NC=C4
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
5
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
627
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