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Chemical ID: 4207165
Chemical ID:
4207165
Name [?]:
N-isopropyl-2-(2,4,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)NC(C)C)C
InChi [?]:
InChI=1/C14H21NO2/c1-9(2)15-13(16)8-17-14-11(4)6-10(3)7-12(14)5/h6-7,9H,8H2,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,8,17,7,3,10,14,2,6,4,11,5,13,12,9/E:(1,2)(4,5)(6,7)(11,12)/rA:17nCCCCCCCCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93125 |
Area: | 447.908 |
Solvation: | -3.26643 |
Coulombic: | -29.2155 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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