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Chemical ID: 4278511
Chemical ID:
4278511
Name [?]:
1-(1-adamantyl)-N-(2,4,6-trimethylphenyl)-piperidine-2-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)C2CCCCN2C34CC5CC(C3)CC(C5)C4)C
InChi [?]:
InChI=1/C25H36N2O/c1-16-8-17(2)23(18(3)9-16)26-24(28)22-6-4-5-7-27(22)25-13-19-10-20(14-25)12-21(11-19)15-25/h8-9,19-22H,4-7,10-15H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,8,28,14,15,13,16,7,3,21,24,26,23,19,27,2,6,4,22,20,25,12,5,10,18,9,17,11/E:(2,3)(8,9)(10,11,12)(13,14,15)(17,18)(19,20,21)/rA:28cCCCCCCCCNCOCCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2775 |
Area: | 510.463 |
Solvation: | -1.48407 |
Coulombic: | -27.0052 |
Bond Count [?]
All: | 32 |
Single: | 28 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 380.566 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.54 |
LogP (Chemaxon): | 3.98 |
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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