Chemical ID: 7193426

Cc1ccc(cc1)OCC(=O)NC(C)COC
Chemical ID:
7193426
Name [?]:
N-(2-methoxy-1-methyl-ethyl)-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)NC(C)COC
InChi [?]:
InChI=1/C13H19NO3/c1-10-4-6-12(7-5-10)17-9-13(15)14-11(2)8-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,17,3,7,4,6,15,9,2,13,5,10,12,11,16,8/E:(4,5)(6,7)/rA:17cCCCCCCCOCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:36
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.44703
Area:453.103
Solvation:-4.88055
Coulombic:-36.5928
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.82
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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