CID 52487121
PubChem CID
52487121
Structure
Molecular Formula
Status
Non-live
Molecular Weight
354.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(2R)-4-[2-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutan-2-yl]benzamide
InChI=1S/C20H22N2O4/c1-14(22-20(24)16-5-3-2-4-6-16)11-19(23)21-10-9-15-7-8-17-18(12-15)26-13-25-17/h2-8,12,14H,9-11,13H2,1H3,(H,21,23)(H,22,24)/t14-/m1/s1
PPLUOFXHSQFTOZ-CQSZACIVSA-N
C[C@H](CC(=O)NCCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3
C20H22N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
354.4 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
354.15795719 g/mol
Property Name
Monoisotopic Mass
Property Value
354.15795719 g/mol
Property Name
Topological Polar Surface Area
Property Value
76.7 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
478
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