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Chemical ID: 7193426
Chemical ID:
7193426
Name [?]:
N-(2-methoxy-1-methyl-ethyl)-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)NC(C)COC
InChi [?]:
InChI=1/C13H19NO3/c1-10-4-6-12(7-5-10)17-9-13(15)14-11(2)8-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,17,3,7,4,6,15,9,2,13,5,10,12,11,16,8/E:(4,5)(6,7)/rA:17cCCCCCCCOCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.44703 |
Area: | 453.103 |
Solvation: | -4.88055 |
Coulombic: | -36.5928 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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