Chemical ID: 6663639

CCCCN(CCCC)C(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N(CCCC)CCCC
Chemical ID:
6663639
Name [?]:
1,1-dibutyl-3-[4-[[4-(dibutylcarbamoylamino)phenyl]methyl]phenyl]-urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N(CCCC)CCCC
InChi [?]:
InChI=1/C31H48N4O2/c1-5-9-21-34(22-10-6-2)30(36)32-28-17-13-26(14-18-28)25-27-15-19-29(20-16-27)33-31(37)35(23-11-7-3)24-12-8-4/h13-20H,5-12,21-25H2,1-4H3,(H,32,36)(H,33,37)
InChi Info:
AuxInfo=1/1/N:1,9,33,37,2,8,32,36,3,7,31,35,15,17,21,25,14,18,22,24,4,6,30,34,19,16,20,13,23,10,27,12,26,5,29,11,28/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22,23,24)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37nCCCCNCCCCCONCCCCCCCCCCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;s29;s30;s31;s32;s29;s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H48N4O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:18.7755
Area:883.454
Solvation:-3.31082
Coulombic:-64.2901
Bond Count [?]
All:38
Single:30
Double:8
Rotors:20
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:508.739
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:7.04
LogP (Chemaxon):8.05

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Descriptor Annotations

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