Chemical ID: 4145874

CCCCN(CC)C(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N(CC)CCCC
Chemical ID:
4145874
Name [?]:
1-butyl-3-[4-[[4-(butyl-ethyl-carbamoyl)aminophenyl]methyl]phenyl]-1-ethyl-urea
SMILES [?]:
CCCCN(CC)C(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)N(CC)CCCC
InChi [?]:
InChI=1/C27H40N4O2/c1-5-9-19-30(7-3)26(32)28-24-15-11-22(12-16-24)21-23-13-17-25(18-14-23)29-27(33)31(8-4)20-10-6-2/h11-18H,5-10,19-21H2,1-4H3,(H,28,32)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,33,7,29,2,32,6,28,3,31,13,15,19,23,12,16,20,22,4,30,17,14,18,11,21,8,25,10,24,5,27,9,26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16,17,18)(19,20)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:33nCCCCNCCCONCCCCCCCCCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;s28;s27;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H40N4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:16.1175
Area:777.963
Solvation:-3.33154
Coulombic:-62.8199
Bond Count [?]
All:34
Single:26
Double:8
Rotors:16
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:452.632
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.18
LogP (Chemaxon):6.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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