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Chemical ID: 4155008
Chemical ID:
4155008
Name [?]:
N-isobutyl-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1C)OCC(=O)NCC(C)C)C
InChi [?]:
InChI=1/C15H23NO2/c1-10(2)8-16-14(17)9-18-15-12(4)7-6-11(3)13(15)5/h6-7,10H,8-9H2,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,17,1,18,8,3,4,14,10,15,2,5,7,11,6,13,12,9/E:(1,2)/rA:18nCCCCCCCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;s15;s15;s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46574 |
Area: | 470.605 |
Solvation: | -3.29939 |
Coulombic: | -29.8129 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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