CID 51751783
PubChem CID
51751783
Structure
Molecular Formula
Status
Non-live
Molecular Weight
386.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R,3S)-N-butyl-2-[furan-2-ylmethyl-(2-methoxyacetyl)amino]-3-phenylbutanamide
InChI=1S/C22H30N2O4/c1-4-5-13-23-22(26)21(17(2)18-10-7-6-8-11-18)24(20(25)16-27-3)15-19-12-9-14-28-19/h6-12,14,17,21H,4-5,13,15-16H2,1-3H3,(H,23,26)/t17-,21+/m0/s1
JGUBHKUXGUXOPG-LAUBAEHRSA-N
CCCCNC(=O)[C@@H]([C@@H](C)C1=CC=CC=C1)N(CC2=CC=CO2)C(=O)COC
C22H30N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
386.5 g/mol
Property Name
XLogP3-AA
Property Value
3.1
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
11
Property Name
Exact Mass
Property Value
386.22055744 g/mol
Property Name
Monoisotopic Mass
Property Value
386.22055744 g/mol
Property Name
Topological Polar Surface Area
Property Value
71.8 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
479
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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