CID 44751202
PubChem CID
44751202
Structure
Molecular Formula
Status
Non-live
Molecular Weight
506.7 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(2-methylhexanoyl)-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C30H42N4O3/c1-3-4-8-22(2)29(37)34-20-26(30(21-34)13-15-31-16-14-30)28(36)33-18-17-32-27(35)19-24-11-7-10-23-9-5-6-12-25(23)24/h5-7,9-12,22,26,31H,3-4,8,13-21H2,1-2H3,(H,32,35)(H,33,36)
MBBJOCNAWKEGMB-UHFFFAOYSA-N
CCCCC(C)C(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCNC(=O)CC3=CC=CC4=CC=CC=C43
C30H42N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
506.7 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
10
Property Name
Exact Mass
Property Value
506.32569121 g/mol
Property Name
Monoisotopic Mass
Property Value
506.32569121 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.5 A^2
Property Name
Heavy Atom Count
Property Value
37
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
781
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