Chemical ID: 6666332

Cc1ccc(cc1C)NC(=O)NC(C)C
Chemical ID:
6666332
Name [?]:
1-(3,4-dimethylphenyl)-3-isopropyl-urea
SMILES [?]:
Cc1ccc(cc1C)NC(=O)NC(C)C
InChi [?]:
InChI=1/C12H18N2O/c1-8(2)13-12(15)14-11-6-5-9(3)10(4)7-11/h5-8H,1-4H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:14,15,1,8,3,4,6,13,2,7,5,10,12,9,11/E:(1,2)/rA:15nCCCCCCCCNCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.50765
Area:403.271
Solvation:-1.57413
Coulombic:-35.1628
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.284
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):3.04

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue