Chemical ID: 4207165

Cc1cc(c(c(c1)C)OCC(=O)NC(C)C)C
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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