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Chemical ID: 3939505
Chemical ID:
3939505
Name [?]:
4-cyclohexylcarbonylamino-N-(4-ethoxyphenyl)-piperidine-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H31N3O3/c1-2-27-19-10-8-17(9-11-19)23-21(26)24-14-12-18(13-15-24)22-20(25)16-6-4-3-5-7-16/h8-11,16,18H,2-7,12-15H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,27,6,8,5,9,15,17,14,18,22,7,16,4,20,11,19,10,13,21,12,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCOCCCCCCNCONCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2731 |
Area: | 614.631 |
Solvation: | -4.09268 |
Coulombic: | -58.2531 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.489 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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