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Chemical ID: 5753820
Chemical ID:
5753820
Name [?]:
N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
SMILES [?]:
Cc1cccc(c1OCCNC(=O)C)C
InChi [?]:
InChI=1/C12H17NO2/c1-9-5-4-6-10(2)12(9)15-8-7-13-11(3)14/h4-6H,7-8H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,14,4,3,5,10,9,2,6,12,7,11,13,8/E:(1,2)(5,6)(9,10)/rA:15nCCCCCCCOCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16555 |
Area: | 401.694 |
Solvation: | -2.8768 |
Coulombic: | -28.079 |
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: | 1.89 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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