Chemical ID: 6001841

CCCCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)CC
Chemical ID:
6001841
Name [?]:
4-ethyl-N-hexyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)CC
InChi [?]:
InChI=1/C21H29N3O3/c1-4-6-7-8-13-24(15-20(25)22-19-14-16(3)27-23-19)21(26)18-11-9-17(5-2)10-12-18/h9-12,14H,4-8,13,15H2,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,17,2,26,3,4,5,22,24,21,25,6,13,8,14,23,20,12,9,18,11,16,7,10,19,15/E:(9,10)(11,12)/rA:27nCCCCCCNCCONCCCONCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1561
Area:636.947
Solvation:-3.7676
Coulombic:-43.4032
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:4.98
LogP (Chemaxon):4.35

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