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Chemical ID: 7206860
Chemical ID:
7206860
Name [?]:
2-(4-cyano-2-ethoxy-phenoxy)-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)Nc2ccccc2OC)C#N
InChi [?]:
InChI=1/C18H18N2O4/c1-3-23-17-10-13(11-19)8-9-16(17)24-12-18(21)20-14-6-4-5-7-15(14)22-2/h4-10H,3,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,16,19,7,8,5,23,11,6,15,20,9,4,12,24,14,13,21,3,10/rA:24nCCOCCCCCCOCCONCCCCCCOCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s6;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58442 |
Area: | 562.425 |
Solvation: | -7.47619 |
Coulombic: | -45.1499 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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