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116489-89-5 | Docosanamide, N,N'-1,3-propanediylbis-
CAS No: 116489-89-5 Catalog No: AG000CLO MDL No:
Product Description
Catalog Number:
AG000CLO
Chemical Name:
Docosanamide, N,N'-1,3-propanediylbis-
CAS Number:
116489-89-5
Molecular Formula:
C47H94N2O2
Molecular Weight:
719.2615
IUPAC Name:
N-[3-(docosanoylamino)propyl]docosanamide
InChI:
InChI=1S/C47H94N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-46(50)48-44-41-45-49-47(51)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-45H2,1-2H3,(H,48,50)(H,49,51)
InChI Key:
VEWLCBPNOJYPLR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
718.732g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
719.281g/mol
Monoisotopic Mass:
718.732g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.4
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