ChemDB: Chemical Search
Download
Chemical ID: 6667844
Chemical ID:
6667844
Name [?]:
1-butyl-3-(3-ethylphenyl)-1-methyl-urea
SMILES [?]:
CCCCN(C)C(=O)Nc1cccc(c1)CC
InChi [?]:
InChI=1/C14H22N2O/c1-4-6-10-16(3)14(17)15-13-9-7-8-12(5-2)11-13/h7-9,11H,4-6,10H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,6,2,16,3,12,13,11,4,15,14,10,7,9,5,8/rA:17nCCCCNCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83116 |
Area: | 455.335 |
Solvation: | -1.55221 |
Coulombic: | -32.0451 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 234.337 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.66 |
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 |
---|