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Chemical ID: 4158197
Chemical ID:
4158197
Name [?]:
2-(2-ethylphenoxy)-N-(m-tolyl)acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C17H19NO2/c1-3-14-8-4-5-10-16(14)20-12-17(19)18-15-9-6-7-13(2)11-15/h4-11H,3,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,2,5,6,16,17,4,15,7,19,10,18,3,14,8,11,13,12,9/rA:20nCCCCCCCCOCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32528 |
Area: | 487.881 |
Solvation: | -3.87176 |
Coulombic: | -29.5032 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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