CID 44751130
PubChem CID
44751130
Structure
Molecular Formula
Status
Non-live
Molecular Weight
526.7 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[2-[(2-naphthalen-1-ylacetyl)amino]ethyl]-2-(3-phenylpropanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C32H38N4O3/c37-29(21-26-11-6-10-25-9-4-5-12-27(25)26)34-19-20-35-31(39)28-22-36(23-32(28)15-17-33-18-16-32)30(38)14-13-24-7-2-1-3-8-24/h1-12,28,33H,13-23H2,(H,34,37)(H,35,39)
ANUPELUTMHEHAH-UHFFFAOYSA-N
C1CNCCC12CN(CC2C(=O)NCCNC(=O)CC3=CC=CC4=CC=CC=C43)C(=O)CCC5=CC=CC=C5
C32H38N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
526.7 g/mol
Property Name
XLogP3-AA
Property Value
3
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
9
Property Name
Exact Mass
Property Value
526.29439109 g/mol
Property Name
Monoisotopic Mass
Property Value
526.29439109 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.5 A^2
Property Name
Heavy Atom Count
Property Value
39
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
835
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