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Chemical ID: 4152272
Chemical ID:
4152272
Name [?]:
N-(2-ethylphenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)COc2ccc(c(c2)C)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-5-16-8-6-7-9-19(16)21-20(22)13-23-17-10-11-18(14(2)3)15(4)12-17/h6-12,14H,5,13H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,20,2,5,6,4,7,15,16,19,12,21,18,3,14,17,8,10,9,11,13/E:(2,3)/rA:23nCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82503 |
Area: | 548.006 |
Solvation: | -3.87512 |
Coulombic: | -30.0246 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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