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101452-64-6 | Urea, N-cyclohexyl-N'-(1,1,3,3-tetramethylbutyl)-
CAS No: 101452-64-6 Catalog No: AG0004HZ MDL No:
Product Description
Catalog Number:
AG0004HZ
Chemical Name:
Urea, N-cyclohexyl-N'-(1,1,3,3-tetramethylbutyl)-
CAS Number:
101452-64-6
Molecular Formula:
C15H30N2O
Molecular Weight:
254.4115
IUPAC Name:
1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea
InChI:
InChI=1S/C15H30N2O/c1-14(2,3)11-15(4,5)17-13(18)16-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H2,16,17,18)
InChI Key:
MKFMYJMFICNOOV-UHFFFAOYSA-N
SMILES:
O=C(NC(CC(C)(C)C)(C)C)NC1CCCCC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.236g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.418g/mol
Monoisotopic Mass:
254.236g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| QSAR and classification of murine and human soluble epoxide hydrolase inhibition by urea-like compounds. | Journal of medicinal chemistry 20030313 |
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