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Chemical ID: 4143322
Chemical ID:
4143322
Name [?]:
N-(2,4-dimethoxyphenyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C20H25NO4/c1-20(2,3)15-8-6-7-9-17(15)25-13-19(22)21-16-11-10-14(23-4)12-18(16)24-5/h6-12H,13H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,23,7,8,6,9,18,17,20,12,19,5,16,10,21,13,2,15,14,24,22,11/E:(1,2,3)/rA:25nCCCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56748 |
Area: | 560.281 |
Solvation: | -5.43955 |
Coulombic: | -44.1834 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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