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Chemical ID: 7263355
Chemical ID:
7263355
Name [?]:
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)OC)OCC(=O)Nc2cccc(c2)C#N)OC
InChi [?]:
InChI=1/C18H18N2O4/c1-12-7-15(22-2)18(16(8-12)23-3)24-11-17(21)20-14-6-4-5-13(9-14)10-19/h4-9H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,24,17,18,16,7,3,20,21,11,2,19,15,6,4,12,5,22,14,13,8,23,10/E:(2,3)(7,8)(15,16)(22,23)/rA:24nCCCCCCCOCOCCONCCCCCCCNOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;s4;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.52028 |
Area: | 557.156 |
Solvation: | -7.40863 |
Coulombic: | -45.6565 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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