CID 44734776
PubChem CID
44734776
Structure
Molecular Formula
Status
Non-live
Molecular Weight
403.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C22H33N3O4/c1-28-14-8-20(26)25-15-18(22(16-25)9-12-23-13-10-22)21(27)24-11-7-17-5-3-4-6-19(17)29-2/h3-6,18,23H,7-16H2,1-2H3,(H,24,27)
DWKXYVOMGDTYTE-UHFFFAOYSA-N
COCCC(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCC3=CC=CC=C3OC
C22H33N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
403.5 g/mol
Property Name
XLogP3-AA
Property Value
0.7
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
8
Property Name
Exact Mass
Property Value
403.24710654 g/mol
Property Name
Monoisotopic Mass
Property Value
403.24710654 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.9 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
550
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