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Chemical ID: 6146655
Chemical ID:
6146655
Name [?]:
N-tert-butyl-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1C)OCC(=O)NC(C)(C)C)C
InChi [?]:
InChI=1/C15H23NO2/c1-10-7-8-11(2)14(12(10)3)18-9-13(17)16-15(4,5)6/h7-8H,9H2,1-6H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,8,15,16,17,3,4,10,2,5,7,11,6,14,13,12,9/E:(4,5,6)/rA:18nCCCCCCCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;s14;s14;s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2388 |
Area: | 455.678 |
Solvation: | -3.15316 |
Coulombic: | -29.3099 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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