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Chemical ID: 6943511
Chemical ID:
6943511
Name [?]:
N-(2,3-dimethylphenyl)-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)COc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-14-7-6-8-18(15(14)2)21-19(22)13-23-17-11-9-16(10-12-17)20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,21,22,23,4,3,5,16,18,15,19,12,2,7,17,14,6,10,20,9,11,13/E:(3,4,5)(9,10)(11,12)/rA:23nCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56831 |
Area: | 540.273 |
Solvation: | -3.9385 |
Coulombic: | -29.8184 |
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: | 5.15 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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