Chemical ID: 6002517

CCCCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2ccon2
Chemical ID:
6002517
Name [?]:
4-butyl-N-isopentyl-N-(isoxazol-3-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2ccon2
InChi [?]:
InChI=1/C21H29N3O3/c1-4-5-6-17-7-9-18(10-8-17)21(26)24(13-11-16(2)3)15-20(25)22-19-12-14-27-23-19/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,3,4,6,10,7,9,15,24,14,25,19,16,5,8,23,20,11,22,27,13,21,12,26/E:(2,3)(7,8)(9,10)/rA:27nCCCCCCCCCCCONCCCCCCCONCCCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s16;s13;s19;d20;s20;s22;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.728
Area:630.436
Solvation:-4.03288
Coulombic:-43.2011
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:371.473
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.25
LogP (Chemaxon):4.67

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