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Chemical ID: 4202309
Chemical ID:
4202309
Name [?]:
2-(4-methoxyphenoxy)-N-(o-tolylmethyl)acetamide
SMILES [?]:
Cc1ccccc1CNC(=O)COc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H19NO3/c1-13-5-3-4-6-14(13)11-18-17(19)12-21-16-9-7-15(20-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,4,5,3,6,16,18,15,19,8,12,2,7,17,14,10,9,11,20,13/E:(7,8)(9,10)/rA:21nCCCCCCCCNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65884 |
Area: | 510.255 |
Solvation: | -5.09755 |
Coulombic: | -36.6749 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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