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Chemical ID: 5889610
Chemical ID:
5889610
Name [?]:
5-(cyclohexylcarbamoylamino)-N-isopropyl-2-(4-methyl-1-piperidyl)-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC(C)C)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-16(2)24-22(28)20-15-19(26-23(29)25-18-7-5-4-6-8-18)9-10-21(20)27-13-11-17(3)12-14-27/h9-10,15-18H,4-8,11-14H2,1-3H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:18,19,1,27,26,28,25,29,10,9,3,7,4,6,12,17,2,24,11,13,8,14,21,16,23,20,5,15,22/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:29nCCCCNCCCCCCCCCONCCCNCONCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s17;s11;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H36N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8412 |
Area: | 652.384 |
Solvation: | -3.46845 |
Coulombic: | -62.3302 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 400.558 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.61 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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