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Chemical ID: 7257131
Chemical ID:
7257131
Name [?]:
2-(3-cyanophenoxy)-N-(2-ethyl-6-methyl-phenyl)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2cccc(c2)C#N)C
InChi [?]:
InChI=1/C18H18N2O2/c1-3-15-8-4-6-13(2)18(15)20-17(21)12-22-16-9-5-7-14(10-16)11-19/h4-10H,3,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,16,6,17,4,15,19,20,12,7,18,3,14,10,8,21,9,11,13/rA:22nCCCCCCCCNCOCOCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;t20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38594 |
Area: | 516.684 |
Solvation: | -4.53117 |
Coulombic: | -31.6818 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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