CID 44751121
PubChem CID
44751121
Structure
Molecular Formula
Status
Non-live
Molecular Weight
464.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
2-(2-methylpropanoyl)-N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C27H36N4O3/c1-19(2)26(34)31-17-23(27(18-31)10-12-28-13-11-27)25(33)30-15-14-29-24(32)16-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,19,23,28H,10-18H2,1-2H3,(H,29,32)(H,30,33)
FRBDQTORRHXMJB-UHFFFAOYSA-N
CC(C)C(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCNC(=O)CC3=CC=CC4=CC=CC=C43
C27H36N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
464.6 g/mol
Property Name
XLogP3-AA
Property Value
2.2
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
464.27874102 g/mol
Property Name
Monoisotopic Mass
Property Value
464.27874102 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.5 A^2
Property Name
Heavy Atom Count
Property Value
34
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
733
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