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Chemical ID: 7056012
Chemical ID:
7056012
Name [?]:
2-[4-(2-ethoxyethoxy)phenoxy]-N-(m-tolyl)acetamide
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C19H23NO4/c1-3-22-11-12-23-17-7-9-18(10-8-17)24-14-19(21)20-16-6-4-5-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,8,12,9,11,4,5,23,14,22,18,7,10,15,17,16,3,6,13/E:(7,8)(9,10)/rA:24nCCOCCOCCCCCCOCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO4 |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35661 |
Area: | 584.362 |
Solvation: | -7.25245 |
Coulombic: | -42.561 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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