Chemical ID: 6656197

CC(C)c1ccc(cc1)NC(=O)N(C)C
Chemical ID:
6656197
Name [?]:
3-(4-isopropylphenyl)-1,1-dimethyl-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N(C)C
InChi [?]:
InChI=1/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,5,9,6,8,2,4,7,11,10,13,12/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCCCCCNCONCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.37155
Area:400.83
Solvation:-1.6492
Coulombic:-31.2522
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.284
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.46
LogP (Chemaxon):2.79

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