CID 51748792
PubChem CID
51748792
Structure
Molecular Formula
Status
Non-live
Molecular Weight
396.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(1R)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
InChI=1S/C24H32N2O3/c1-2-3-16-25-23(27)22(19-11-6-4-7-12-19)26(18-21-15-10-17-29-21)24(28)20-13-8-5-9-14-20/h5,8-10,13-15,17,19,22H,2-4,6-7,11-12,16,18H2,1H3,(H,25,27)/t22-/m1/s1
RKWBKDGPCKNWGW-JOCHJYFZSA-N
CCCCNC(=O)[C@@H](C1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=C3
C24H32N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
396.5 g/mol
Property Name
XLogP3-AA
Property Value
5
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
396.24129289 g/mol
Property Name
Monoisotopic Mass
Property Value
396.24129289 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
512
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