Chemical ID: 4155008

Cc1ccc(c(c1C)OCC(=O)NCC(C)C)C
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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