Chemical ID: 5820166

Cc1cc(c(c(c1)C)NC(=O)C2CCCN2C34CC5CC(C3)CC(C5)C4)C
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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