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Chemical ID: 6399551
Chemical ID:
6399551
Name [?]:
N-(4-ethoxyphenyl)-2-ethyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1)OCC
InChi [?]:
InChI=1/C16H25NO2/c1-4-7-8-13(5-2)16(18)17-14-9-11-15(12-10-14)19-6-3/h9-13H,4-8H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,19,2,6,18,3,4,12,16,13,15,5,11,14,8,10,9,17/E:(9,10)(11,12)/rA:19cCCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.5135 |
Area: | 498.45 |
Solvation: | -2.94775 |
Coulombic: | -29.0697 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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