Chemical ID: 4462738

Cc1cc(c(c(c1C)OCC(=O)NC)C)C
Chemical ID:
4462738
Name [?]:
N-methyl-2-(2,3,5,6-tetramethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1C)OCC(=O)NC)C)C
InChi [?]:
InChI=1/C13H19NO2/c1-8-6-9(2)11(4)13(10(8)3)16-7-12(15)14-5/h6H,7H2,1-5H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,8,15,14,3,10,2,4,7,5,11,6,13,12,9/E:(1,2)(3,4)(8,9)(10,11)/rA:16nCCCCCCCCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s5;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.08874
Area:417.398
Solvation:-3.3462
Coulombic:-28.6777
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):2.59

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Descriptor Annotations

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