Chemical ID: 7294096

Cc1ccc(cc1C)NC(=O)CNC(C)C23CC4CC(C2)CC(C4)C3
Chemical ID:
7294096
Name [?]:
2-[1-(1-adamantyl)ethylamino]-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CNC(C)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C22H32N2O/c1-14-4-5-20(6-15(14)2)24-21(25)13-23-16(3)22-10-17-7-18(11-22)9-19(8-17)12-22/h4-6,16-19,23H,7-13H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,15,3,4,6,19,22,24,21,17,25,12,2,7,14,20,18,23,5,10,16,13,9,11/E:(7,8,9)(10,11,12)(17,18,19)/rA:25cCCCCCCCCNCOCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s14;s16;s17;s18;s19;s16s20;s20;s22;s18s23;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32N2O
All Atoms:57
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.2184
Area:550.749
Solvation:-2.55028
Coulombic:-30.4153
Bond Count [?]
All:28
Single:24
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.502
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.58
LogP (Chemaxon):4.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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