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Chemical ID: 5494472
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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