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Chemical ID: 5820166
Chemical ID:
5820166
Name [?]:
1-(1-adamantyl)-N-(2,4,6-trimethylphenyl)-pyrrolidine-2-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)C2CCCN2C34CC5CC(C3)CC(C5)C4)C
InChi [?]:
InChI=1/C24H34N2O/c1-15-7-16(2)22(17(3)8-15)25-23(27)21-5-4-6-26(21)24-12-18-9-19(13-24)11-20(10-18)14-24/h7-8,18-21H,4-6,9-14H2,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,27,14,13,15,7,3,20,23,25,22,18,26,2,6,4,21,19,24,12,5,10,17,9,16,11/E:(2,3)(7,8)(9,10,11)(12,13,14)(16,17)(18,19,20)/rA:27cCCCCCCCCNCOCCCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s12s15;s16;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8663 |
Area: | 494.539 |
Solvation: | -1.49718 |
Coulombic: | -26.6851 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.54 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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