Chemical ID: 6664909

Cc1cccc(c1)NC(=O)N(C2CCCCC2)C3CCCCC3
Chemical ID:
6664909
Name [?]:
1,1-dicyclohexyl-3-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C20H30N2O/c1-16-9-8-10-17(15-16)21-20(23)22(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15,18-19H,2-7,11-14H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,21,14,16,20,22,4,3,5,13,17,19,23,7,2,6,12,18,9,8,11,10/E:(2,3)(4,5,6,7)(11,12,13,14)(18,19)/rA:23nCCCCCCCNCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.6278
Area:516.246
Solvation:-1.27833
Coulombic:-33.159
Bond Count [?]
All:25
Single:21
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.465
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.15
LogP (Chemaxon):5.23

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Experimental Annotations

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Descriptor Annotations

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