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Chemical ID: 4146945
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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