Chemical ID: 6665703

Cc1ccc(cc1NC(=O)N(C)C2CCCCC2)NC(=O)N(C)C3CCCCC3
Chemical ID:
6665703
Name [?]:
1-cyclohexyl-3-[5-(cyclohexyl-methyl-carbamoyl)amino-2-methyl-phenyl]-1-methyl-urea
SMILES [?]:
Cc1ccc(cc1NC(=O)N(C)C2CCCCC2)NC(=O)N(C)C3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-17-14-15-18(24-22(28)26(2)19-10-6-4-7-11-19)16-21(17)25-23(29)27(3)20-12-8-5-9-13-20/h14-16,19-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,23,12,27,16,26,28,15,17,25,29,14,18,3,4,6,2,5,24,13,7,20,9,19,8,22,11,21,10/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCNCONCCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s13;s14;s15;s16;s13s17;s5;s19;d20;s20;s22;s22;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H36N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.5051
Area:646.534
Solvation:-2.65829
Coulombic:-61.2614
Bond Count [?]
All:31
Single:26
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.558
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.98
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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