Chemical ID: 6656208

Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
6656208
Name [?]:
3-(4-isopropylphenyl)-1-(p-tolyl)urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C17H20N2O/c1-12(2)14-6-10-16(11-7-14)19-17(20)18-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,3,7,14,16,4,6,13,17,18,2,15,5,12,9,8,11,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20nCCCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2426
Area:483.218
Solvation:-1.83786
Coulombic:-36.3098
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.354
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.32
LogP (Chemaxon):5.17

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Descriptor Annotations

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