CID 51748937
PubChem CID
51748937
Structure
Molecular Formula
Status
Non-live
Molecular Weight
410.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(2R)-1-(cyclohexylamino)-3-ethyl-1-oxopentan-2-yl]-N-(furan-2-ylmethyl)benzamide
InChI=1S/C25H34N2O3/c1-3-19(4-2)23(24(28)26-21-14-9-6-10-15-21)27(18-22-16-11-17-30-22)25(29)20-12-7-5-8-13-20/h5,7-8,11-13,16-17,19,21,23H,3-4,6,9-10,14-15,18H2,1-2H3,(H,26,28)/t23-/m1/s1
YUISZFXXOXPMLQ-HSZRJFAPSA-N
CCC(CC)[C@H](C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=C3
C25H34N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
410.5 g/mol
Property Name
XLogP3-AA
Property Value
5.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
410.25694295 g/mol
Property Name
Monoisotopic Mass
Property Value
410.25694295 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
537
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