Chemical ID: 6007712

CCCCCc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2ccon2
Chemical ID:
6007712
Name [?]:
N-isobutyl-N-(isoxazol-3-ylcarbamoylmethyl)-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2ccon2
InChi [?]:
InChI=1/C21H29N3O3/c1-4-5-6-7-17-8-10-18(11-9-17)21(26)24(14-16(2)3)15-20(25)22-19-12-13-27-23-19/h8-13,16H,4-7,14-15H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,18,2,3,4,5,7,11,8,10,24,25,15,19,16,6,9,23,20,12,22,27,14,21,13,26/E:(2,3)(8,9)(10,11)/rA:27nCCCCCCCCCCCCONCCCCCCONCCCON/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s16;s14;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:11.675
Area:627.253
Solvation:-4.00629
Coulombic:-43.2223
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:371.473
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.04
LogP (Chemaxon):4.74

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