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Chemical ID: 6990091
Chemical ID:
6990091
Name [?]:
2-(3,5-dimethylphenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2cccc3c2cccc3)C
InChi [?]:
InChI=1/C20H19NO2/c1-14-10-15(2)12-17(11-14)23-13-20(22)21-19-9-5-7-16-6-3-4-8-18(16)19/h3-12H,13H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,21,20,15,22,16,19,14,3,7,5,9,2,4,17,6,18,13,10,12,11,8/E:(1,2)(11,12)(14,15)/rA:23nCCCCCCCOCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO2 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97106 |
Area: | 523.103 |
Solvation: | -4.10653 |
Coulombic: | -30.0278 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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