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Chemical ID: 5623441
Chemical ID:
5623441
Name [?]:
2-(3,4-dimethylphenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C19H23NO2/c1-13(2)17-7-5-6-8-18(17)20-19(21)12-22-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,8,17,16,18,15,3,4,6,10,20,2,7,5,19,14,11,13,12,9/E:(1,2)/rA:22nCCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2373 |
Area: | 526.629 |
Solvation: | -3.92843 |
Coulombic: | -29.6271 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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