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Chemical ID: 4242146
Chemical ID:
4242146
Name [?]:
N-[2-(4-methylphenoxy)ethyl]cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1)OCCNC(=O)C2CCCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-13-7-9-15(10-8-13)19-12-11-17-16(18)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,7,4,6,10,9,2,14,5,12,11,13,8/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCOCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.09997 |
Area: | 481.097 |
Solvation: | -2.92745 |
Coulombic: | -29.7396 |
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: | 3.79 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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