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Chemical ID: 4514332
Chemical ID:
4514332
Name [?]:
2-(2,3-dimethylphenoxy)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2cccc(c2C)C
InChi [?]:
InChI=1/C17H19NO2/c1-12-7-9-15(10-8-12)18-17(19)11-20-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,15,16,14,3,7,4,6,11,2,17,18,5,13,9,8,10,12/E:(7,8)(9,10)/rA:20nCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.16867 |
Area: | 482.022 |
Solvation: | -3.88188 |
Coulombic: | -28.9577 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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