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Chemical ID: 6664987
Chemical ID:
6664987
Name [?]:
1,1-dicyclohexyl-3-(2,4-dimethylphenyl)-urea
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C21H32N2O/c1-16-13-14-20(17(2)15-16)22-21(24)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-15,18-19H,3-12H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,16,22,15,17,21,23,14,18,20,24,3,4,7,2,6,13,19,5,10,9,12,11/E:(3,4)(5,6,7,8)(9,10,11,12)(18,19)/rA:24nCCCCCCCCNCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s12;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7892 |
Area: | 525.714 |
Solvation: | -1.3536 |
Coulombic: | -32.7913 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.492 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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