Chemical ID: 7025199

Cc1cc(c(c(c1)C)OCC(=O)N2CC(CC(C2)C)C)C
Chemical ID:
7025199
Name [?]:
1-(3,5-dimethyl-1-piperidyl)-2-(2,4,6-trimethylphenoxy)-ethanone
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)N2CC(CC(C2)C)C)C
InChi [?]:
InChI=1/C18H27NO2/c1-12-7-15(4)18(16(5)8-12)21-11-17(20)19-9-13(2)6-14(3)10-19/h7-8,13-14H,6,9-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,20,8,21,16,7,3,18,14,10,2,17,15,6,4,11,5,13,12,9/E:(2,3)(4,5)(7,8)(9,10)(13,14)(15,16)/rA:21cCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27NO2
All Atoms:48
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.49131
Area:512.111
Solvation:-3.31147
Coulombic:-25.4518
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):3.89

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Descriptor Annotations

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