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Chemical ID: 7294096
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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