Chemical ID: 6002194

CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2ccon2)C(C)CC
Chemical ID:
6002194
Name [?]:
4-butyl-N-(isoxazol-3-ylcarbamoylmethyl)-N-sec-butyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2ccon2)C(C)CC
InChi [?]:
InChI=1/C20H27N3O3/c1-4-6-7-16-8-10-17(11-9-16)20(25)23(15(3)5-2)14-19(24)21-18-12-13-26-22-18/h8-13,15H,4-7,14H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,2,25,3,4,6,10,7,9,19,20,14,23,5,8,18,15,11,17,22,13,16,12,21/E:(8,9)(10,11)/rA:26cCCCCCCCCCCCONCCONCCCONCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d18s21;s13;s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.8219
Area:582.543
Solvation:-3.74171
Coulombic:-42.7257
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):4.36

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