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Chemical ID: 4158236
Chemical ID:
4158236
Name [?]:
N-cyclohexyl-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-2-13-8-6-7-11-15(13)19-12-16(18)17-14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10,12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,5,6,4,15,19,7,10,3,14,8,11,13,12,9/E:(4,5)(9,10)/rA:19nCCCCCCCCOCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40792 |
Area: | 476.98 |
Solvation: | -3.51658 |
Coulombic: | -30.1269 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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