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Chemical ID: 4462738
Chemical ID:
4462738
Name [?]:
N-methyl-2-(2,3,5,6-tetramethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1C)OCC(=O)NC)C)C
InChi [?]:
InChI=1/C13H19NO2/c1-8-6-9(2)11(4)13(10(8)3)16-7-12(15)14-5/h6H,7H2,1-5H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,8,15,14,3,10,2,4,7,5,11,6,13,12,9/E:(1,2)(3,4)(8,9)(10,11)/rA:16nCCCCCCCCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s5;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08874 |
Area: | 417.398 |
Solvation: | -3.3462 |
Coulombic: | -28.6777 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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