Chemical ID: 4279108

Cc1cc(c(c(c1)C)NC(=O)C2CCCCN2C3C4CC5CC(C4)CC3C5)C
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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