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831223-52-0 | Decanamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-hexyl-
CAS No: 831223-52-0 Catalog No: AG00512A MDL No:
Product Description
Catalog Number:
AG00512A
Chemical Name:
Decanamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-hexyl-
CAS Number:
831223-52-0
Molecular Formula:
C38H74N2O2
Molecular Weight:
591.0064
IUPAC Name:
(2R)-2-hexyl-N-[(1R)-2-(2-hexyldecanoylamino)cyclohexyl]decanamide
InChI:
InChI=1S/C38H74N2O2/c1-5-9-13-17-19-23-29-33(27-21-15-11-7-3)37(41)39-35-31-25-26-32-36(35)40-38(42)34(28-22-16-12-8-4)30-24-20-18-14-10-6-2/h33-36H,5-32H2,1-4H3,(H,39,41)(H,40,42)/t33-,34?,35-,36?/m1/s1
InChI Key:
QNKGYMCMDMBFEJ-STIJGECFSA-N
SMILES:
CCCCCCCCC(C(=O)NC1CCCC[C@H]1NC(=O)[C@@H](CCCCCCCC)CCCCCC)CCCCCC
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
590.575g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
591.022g/mol
Monoisotopic Mass:
590.575g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
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