CID 44745989
PubChem CID
44745989
Structure
Molecular Formula
Status
Non-live
Molecular Weight
429.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
propan-2-yl 2-[[2-(4-phenylbutanoyl)-2,8-diazaspiro[4.5]decane-4-carbonyl]amino]acetate
InChI=1S/C24H35N3O4/c1-18(2)31-22(29)15-26-23(30)20-16-27(17-24(20)11-13-25-14-12-24)21(28)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,18,20,25H,6,9-17H2,1-2H3,(H,26,30)
LRSUOUOMWIHIJR-UHFFFAOYSA-N
CC(C)OC(=O)CNC(=O)C1CN(CC12CCNCC2)C(=O)CCCC3=CC=CC=C3
C24H35N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
429.6 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
429.26275661 g/mol
Property Name
Monoisotopic Mass
Property Value
429.26275661 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.7 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
624
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