CID 44734707
PubChem CID
44734707
Structure
Molecular Formula
Status
Non-live
Molecular Weight
441.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylcyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C26H39N3O3/c1-25(11-6-3-7-12-25)24(31)29-18-21(26(19-29)13-16-27-17-14-26)23(30)28-15-10-20-8-4-5-9-22(20)32-2/h4-5,8-9,21,27H,3,6-7,10-19H2,1-2H3,(H,28,30)
ZYJRGSNQCDSXTA-UHFFFAOYSA-N
CC1(CCCCC1)C(=O)N2CC(C3(C2)CCNCC3)C(=O)NCCC4=CC=CC=C4OC
C26H39N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
441.6 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
441.29914211 g/mol
Property Name
Monoisotopic Mass
Property Value
441.29914211 g/mol
Property Name
Topological Polar Surface Area
Property Value
70.7 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
655
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