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113516-50-0 | Urea, N-[6-[[(octylamino)carbonyl]amino]hexyl]-N'-(2-phenylethyl)-
CAS No: 113516-50-0 Catalog No: AG0008V3 MDL No:
Product Description
Catalog Number:
AG0008V3
Chemical Name:
Urea, N-[6-[[(octylamino)carbonyl]amino]hexyl]-N'-(2-phenylethyl)-
CAS Number:
113516-50-0
Molecular Formula:
C24H42N4O2
Molecular Weight:
418.6159
IUPAC Name:
1-octyl-3-[6-(2-phenylethylcarbamoylamino)hexyl]urea
InChI:
InChI=1S/C24H42N4O2/c1-2-3-4-5-6-12-18-25-23(29)26-19-13-7-8-14-20-27-24(30)28-21-17-22-15-10-9-11-16-22/h9-11,15-16H,2-8,12-14,17-21H2,1H3,(H2,25,26,29)(H2,27,28,30)
InChI Key:
ZQBSUVSSFAWORP-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)NCCCCCCNC(=O)NCCc1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.331g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
418.626g/mol
Monoisotopic Mass:
418.331g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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