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Chemical ID: 4085853
Chemical ID:
4085853
Name [?]:
N-(2,4-dimethylphenyl)-2-phenoxy-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-12-8-9-15(13(2)10-12)17-16(18)11-19-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,18,15,19,3,4,7,12,2,6,14,5,10,9,11,13/E:(4,5)(6,7)/rA:19nCCCCCCCCNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68718 |
Area: | 465.387 |
Solvation: | -3.94749 |
Coulombic: | -29.1564 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.34 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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