Chemical ID: 6656199

CCCCN(CCCC)C(=O)Nc1ccc(cc1)C(C)C
Chemical ID:
6656199
Name [?]:
1,1-dibutyl-3-(4-isopropylphenyl)-urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C18H30N2O/c1-5-7-13-20(14-8-6-2)18(21)19-17-11-9-16(10-12-17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,9,20,21,2,8,3,7,15,17,14,18,4,6,19,16,13,10,12,5,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21nCCCCNCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:12.2588
Area:555.662
Solvation:-1.63273
Coulombic:-33.0803
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:5.16
LogP (Chemaxon):5.2

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Descriptor Annotations

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