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84712-81-2 | Urea,N'-[3-[[[[bis(1-methylethyl)amino]carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-N,N-bis(1-methylethyl)-
CAS No: 84712-81-2 Catalog No: AG004YO5 MDL No:
Product Description
Catalog Number:
AG004YO5
Chemical Name:
Urea,N'-[3-[[[[bis(1-methylethyl)amino]carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-N,N-bis(1-methylethyl)-
CAS Number:
84712-81-2
Molecular Formula:
C24H48N4O2
Molecular Weight:
424.6635
IUPAC Name:
3-[3-[[di(propan-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-1,1-di(propan-2-yl)urea
InChI:
InChI=1S/C24H48N4O2/c1-16(2)27(17(3)4)21(29)25-15-24(11)13-20(12-23(9,10)14-24)26-22(30)28(18(5)6)19(7)8/h16-20H,12-15H2,1-11H3,(H,25,29)(H,26,30)
InChI Key:
AGUUNYAJSFOUSL-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)NCC1(C)CC(NC(=O)N(C(C)C)C(C)C)CC(C1)(C)C)C(C)C)C
EC Number:
283-772-3
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.378g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.674g/mol
Monoisotopic Mass:
424.378g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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