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Chemical ID: 6970137
Chemical ID:
6970137
Name [?]:
N-(2,4-dimethylphenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)17-8-6-15(4)11-19(17)23-12-20(22)21-18-9-7-14(3)10-16(18)5/h6-11,13H,12H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:21,22,1,23,8,17,3,18,4,7,15,12,20,2,16,6,19,5,14,10,9,11,13/E:(1,2)/rA:23nCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.936 |
Area: | 550.756 |
Solvation: | -3.83291 |
Coulombic: | -29.6071 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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