Chemical ID: 5189270

CCN(c1cccc(c1)C)C(=O)NC(C)(C)C
Chemical ID:
5189270
Name [?]:
1-ethyl-1-(m-tolyl)-3-tert-butyl-urea
SMILES [?]:
CCN(c1cccc(c1)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H22N2O/c1-6-16(13(17)15-14(3,4)5)12-9-7-8-11(2)10-12/h7-10H,6H2,1-5H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,10,15,16,17,2,6,7,5,9,8,4,11,14,13,3,12/E:(3,4,5)/rA:17nCCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s3;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.2687
Area:435.87
Solvation:-1.62805
Coulombic:-31.342
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.337
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):2.76

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