Chemical ID: 4278511

Cc1cc(c(c(c1)C)NC(=O)C2CCCCN2C34CC5CC(C3)CC(C5)C4)C
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

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