CID 51783401
PubChem CID
51783401
Structure
Molecular Formula
Status
Non-live
Molecular Weight
382.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-2-(1,3-benzodioxol-5-yl)-N-tert-butyl-2-[methyl-(2-phenylacetyl)amino]acetamide
InChI=1S/C22H26N2O4/c1-22(2,3)23-21(26)20(16-10-11-17-18(13-16)28-14-27-17)24(4)19(25)12-15-8-6-5-7-9-15/h5-11,13,20H,12,14H2,1-4H3,(H,23,26)/t20-/m0/s1
BXQLHPYINNEYQM-FQEVSTJZSA-N
CC(C)(C)NC(=O)[C@H](C1=CC2=C(C=C1)OCO2)N(C)C(=O)CC3=CC=CC=C3
C22H26N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
382.5 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
382.18925731 g/mol
Property Name
Monoisotopic Mass
Property Value
382.18925731 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.9 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
553
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