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Chemical ID: 5657720
Chemical ID:
5657720
Name [?]:
2-(6-methylbenzofuran-3-yl)-N-(p-tolylmethyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)Cc2coc3c2ccc(c3)C
InChi [?]:
InChI=1/C19H19NO2/c1-13-3-6-15(7-4-13)11-20-19(21)10-16-12-22-18-9-14(2)5-8-17(16)18/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,19,4,6,18,21,12,8,14,2,20,5,13,17,16,10,9,11,15/E:(3,4)(6,7)/rA:22nCCCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;s15;s13s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53265 |
Area: | 519.132 |
Solvation: | -3.44565 |
Coulombic: | -28.7809 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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