Chemical ID: 6010061

COc1ccc(cc1)C(=O)N(CC2CCCCC2)CC(=O)Nc3ccon3
Chemical ID:
6010061
Name [?]:
N-(cyclohexylmethyl)-N-(isoxazol-3-ylcarbamoylmethyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)N(CC2CCCCC2)CC(=O)Nc3ccon3
InChi [?]:
InChI=1/C20H25N3O4/c1-26-17-9-7-16(8-10-17)20(25)23(13-15-5-3-2-4-6-15)14-19(24)21-18-11-12-27-22-18/h7-12,15H,2-6,13-14H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,5,7,4,8,24,25,12,19,13,6,3,23,20,9,22,27,11,21,10,2,26/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCOCCCCCCCONCCCCCCCCCONCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s11;s19;d20;s20;s22;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.18619
Area:582.091
Solvation:-5.36609
Coulombic:-48.8639
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.43
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):3.12

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