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Chemical ID: 5896750
Chemical ID:
5896750
Name [?]:
5-(cyclohexylcarbamoylamino)-N,N-diethyl-2-(1-piperidyl)benzamide
SMILES [?]:
CCN(CC)C(=O)c1cc(ccc1N2CCCCC2)NC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H36N4O2/c1-3-26(4-2)22(28)20-17-19(13-14-21(20)27-15-9-6-10-16-27)25-23(29)24-18-11-7-5-8-12-18/h13-14,17-18H,3-12,15-16H2,1-2H3,(H2,24,25,29)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,27,17,26,28,16,18,25,29,11,12,15,19,9,24,10,8,13,6,21,23,20,3,14,7,22/E:(1,2)(3,4)(7,8)(9,10)(11,12)(15,16)/rA:29nCCNCCCOCCCCCCNCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;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: | 12.3129 |
Area: | 634.598 |
Solvation: | -3.55205 |
Coulombic: | -58.1124 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 400.558 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.75 |
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.
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