CID 51831074
PubChem CID
51831074
Structure
Molecular Formula
Status
Non-live
Molecular Weight
439.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[2-[tert-butyl-[(1R)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
InChI=1S/C25H33N3O4/c1-24(2,3)27-23(32)21(17-12-14-19(29)15-13-17)28(25(4,5)6)20(30)16-26-22(31)18-10-8-7-9-11-18/h7-15,21,29H,16H2,1-6H3,(H,26,31)(H,27,32)/t21-/m1/s1
RULBGNSHQQVMHJ-OAQYLSRUSA-N
CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)O)N(C(=O)CNC(=O)C2=CC=CC=C2)C(C)(C)C
C25H33N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
439.5 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
8
Property Name
Exact Mass
Property Value
439.24710654 g/mol
Property Name
Monoisotopic Mass
Property Value
439.24710654 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.7 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
651
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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