Chemical ID: 5159579

Cc1cccc(c1OCC(=O)N2CCOCC2)C
Chemical ID:
5159579
Name [?]:
2-(2,6-dimethylphenoxy)-1-morpholino-ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CCOCC2)C
InChi [?]:
InChI=1/C14H19NO3/c1-11-4-3-5-12(2)14(11)18-10-13(16)15-6-8-17-9-7-15/h3-5H,6-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,3,5,13,17,14,16,9,2,6,10,7,12,11,15,8/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:18nCCCCCCCOCCONCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.16591
Area:439.901
Solvation:-4.83161
Coulombic:-32.1338
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.3
LogP (Chemaxon):1.56

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Descriptor Annotations

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