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Chemical ID: 5931399
Chemical ID:
5931399
Name [?]:
5-amino-2-(4-benzyl-1-piperidyl)-N-isobutyl-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)N
InChi [?]:
InChI=1/C23H31N3O/c1-17(2)16-25-23(27)21-15-20(24)8-9-22(21)26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15,17,19H,10-14,16,24H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,22,26,11,12,16,18,15,19,20,9,4,2,21,17,10,8,13,6,27,5,14,7/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:27nCCCCNCOCCCCCCNCCCCCCCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2164 |
Area: | 612.544 |
Solvation: | -3.09719 |
Coulombic: | -46.2174 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.512 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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