Chemical ID: 4146945

Cc1ccccc1OCC(=O)NC(C)C
Chemical ID:
4146945
Name [?]:
N-isopropyl-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)NC(C)C
InChi [?]:
InChI=1/C12H17NO2/c1-9(2)13-12(14)8-15-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:14,15,1,4,5,3,6,9,13,2,7,10,12,11,8/E:(1,2)/rA:15nCCCCCCCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.64206
Area:406.859
Solvation:-3.52943
Coulombic:-29.0701
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.22
LogP (Chemaxon):1.94

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