CID 44751163
PubChem CID
44751163
Structure
Molecular Formula
Status
Non-live
Molecular Weight
518.7 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(1-methylcyclohexanecarbonyl)-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C31H42N4O3/c1-30(12-5-2-6-13-30)29(38)35-21-26(31(22-35)14-16-32-17-15-31)28(37)34-19-18-33-27(36)20-24-10-7-9-23-8-3-4-11-25(23)24/h3-4,7-11,26,32H,2,5-6,12-22H2,1H3,(H,33,36)(H,34,37)
GJPNSXYOTAHBMC-UHFFFAOYSA-N
CC1(CCCCC1)C(=O)N2CC(C3(C2)CCNCC3)C(=O)NCCNC(=O)CC4=CC=CC5=CC=CC=C54
C31H42N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
518.7 g/mol
Property Name
XLogP3-AA
Property Value
3.6
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
518.32569121 g/mol
Property Name
Monoisotopic Mass
Property Value
518.32569121 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.5 A^2
Property Name
Heavy Atom Count
Property Value
38
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
848
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