ChemDB: Chemical Search
Download
Chemical ID: 6664736
Chemical ID:
6664736
Name [?]:
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methyl-urea
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)N(C)C2CCCCC2
InChi [?]:
InChI=1/C16H24N2O/c1-12-9-10-15(13(2)11-12)17-16(19)18(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,13,17,16,18,15,19,3,4,7,2,6,14,5,10,9,12,11/E:(5,6)(7,8)/rA:19nCCCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98294 |
Area: | 464.46 |
Solvation: | -1.62855 |
Coulombic: | -31.5579 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.46 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|