Chemical ID: 5494472

Cc1ccc(c(c1)OC)OCC(=O)NCc2ccccc2
Chemical ID:
5494472
Name [?]:
N-benzyl-2-(2-methoxy-4-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OC)OCC(=O)NCc2ccccc2
InChi [?]:
InChI=1/C17H19NO3/c1-13-8-9-15(16(10-13)20-2)21-12-17(19)18-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,9,19,18,20,17,21,3,4,7,15,11,2,16,5,6,12,14,13,8,10/E:(4,5)(6,7)/rA:21nCCCCCCCOCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.69037
Area:513.825
Solvation:-6.15526
Coulombic:-36.5972
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.338
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):2.71

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Descriptor Annotations

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