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Chemical ID: 5889136
Chemical ID:
5889136
Name [?]:
2-ethyl-N-[4-(4-methyl-1-piperidyl)-3-(1-piperidylcarbonyl)phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(c(c1)C(=O)N2CCCCC2)N3CCC(CC3)C
InChi [?]:
InChI=1/C26H41N3O2/c1-4-6-10-21(5-2)25(30)27-22-11-12-24(28-17-13-20(3)14-18-28)23(19-22)26(31)29-15-8-7-9-16-29/h11-12,19-21H,4-10,13-18H2,1-3H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,7,31,2,6,3,22,21,23,4,12,13,27,29,20,24,26,30,16,28,5,11,15,14,8,17,10,25,19,9,18/E:(8,9)(13,14)(15,16)(17,18)/rA:31cCCCCCCCCONCCCCCCCONCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s19s23;s14;s25;s26;s27;s28;s25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H41N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8534 |
Area: | 694.036 |
Solvation: | -3.49745 |
Coulombic: | -44.891 |
Bond Count [?]
All: | 33 |
Single: | 28 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 427.623 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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