Chemical ID: 6667138

CCCCN(CCCC)C(=O)Nc1c(cccc1CC)C
Chemical ID:
6667138
Name [?]:
1,1-dibutyl-3-(2-ethyl-6-methyl-phenyl)-urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1c(cccc1CC)C
InChi [?]:
InChI=1/C18H30N2O/c1-5-8-13-20(14-9-6-2)18(21)19-17-15(4)11-10-12-16(17)7-3/h10-12H,5-9,13-14H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,9,20,21,2,8,19,3,7,16,15,17,4,6,14,18,13,10,12,5,11/E:(1,2)(5,6)(8,9)(13,14)/rA:21nCCCCNCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.7643
Area:535.979
Solvation:-1.6352
Coulombic:-32.6966
Bond Count [?]
All:21
Single:17
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:290.444
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.67
LogP (Chemaxon):4.04

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