Chemical ID: 5890148

COc1cccc(c1C(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N4CCCC4)OC
Chemical ID:
5890148
Name [?]:
N-[3-(cyclohexylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N4CCCC4)OC
InChi [?]:
InChI=1/C26H33N3O4/c1-32-22-11-8-12-23(33-2)24(22)26(31)28-19-13-14-21(29-15-6-7-16-29)20(17-19)25(30)27-18-9-4-3-5-10-18/h8,11-14,17-18H,3-7,9-10,15-16H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,33,24,23,25,29,30,5,22,26,4,6,13,14,28,31,17,21,12,16,15,3,7,8,18,9,20,11,27,19,10,2,32/E:(1,2)(4,5)(6,7)(9,10)(11,12)(15,16)(22,23)(32,33)/rA:33nCOCCCCCCCONCCCCCCCONCCCCCCNCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;s23;s24;s21s25;s15;s27;s28;s29;s27s30;s7;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.8136
Area:693.707
Solvation:-6.52902
Coulombic:-62.8589
Bond Count [?]
All:36
Single:28
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:451.558
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.77
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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