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Chemical ID: 4441793
Chemical ID:
4441793
Name [?]:
2-(2,3,5-trimethylphenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COc2cc(cc(c2C)C)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-12-8-15(4)20(16(5)9-12)21-19(22)11-23-18-10-13(2)7-14(3)17(18)6/h7-10H,11H2,1-6H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,8,23,20,17,7,3,15,12,2,16,18,6,4,19,14,10,5,9,11,13/E:(4,5)(8,9)(15,16)/rA:23nCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s18;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48922 |
Area: | 537.86 |
Solvation: | -3.95728 |
Coulombic: | -28.3051 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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