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Chemical ID: 4279108
Chemical ID:
4279108
Name [?]:
1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)-piperidine-2-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)C2CCCCN2C3C4CC5CC(C4)CC3C5)C
InChi [?]:
InChI=1/C25H36N2O/c1-15-8-16(2)23(17(3)9-15)26-25(28)22-6-4-5-7-27(22)24-20-11-18-10-19(13-20)14-21(24)12-18/h8-9,18-22,24H,4-7,10-14H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,8,28,14,15,13,16,7,3,22,20,27,24,25,2,6,4,21,23,19,26,12,5,18,10,9,17,11/E:(2,3)(8,9)(11,12,13,14)(16,17)(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;s22;s19s23;s23;s18s25;s21s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0166 |
Area: | 534.758 |
Solvation: | -2.3524 |
Coulombic: | -27.1418 |
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: | 5.42 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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