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Chemical ID: 4146226
Chemical ID:
4146226
Name [?]:
2-(3,5-dimethylphenoxy)-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2cc(cc(c2)C)C
InChi [?]:
InChI=1/C17H19NO2/c1-12-8-13(2)10-15(9-12)20-11-17(19)18-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,4,5,3,6,16,18,14,11,17,15,2,13,7,9,8,10,12/E:(1,2)(9,10)(12,13)/rA:20nCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21263 |
Area: | 485.01 |
Solvation: | -3.91263 |
Coulombic: | -29.0184 |
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): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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