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Chemical ID: 6664909
Chemical ID:
6664909
Name [?]:
1,1-dicyclohexyl-3-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C20H30N2O/c1-16-9-8-10-17(15-16)21-20(23)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15,18-19H,2-7,11-14H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,21,14,16,20,22,4,3,5,13,17,19,23,7,2,6,12,18,9,8,11,10/E:(2,3)(4,5,6,7)(11,12,13,14)(18,19)/rA:23nCCCCCCCNCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6278 |
Area: | 516.246 |
Solvation: | -1.27833 |
Coulombic: | -33.159 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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