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Chemical ID: 4285921
Chemical ID:
4285921
Name [?]:
N-(2,6-dimethylphenyl)-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccc(cc2)OC)C
InChi [?]:
InChI=1/C17H19NO3/c1-12-5-4-6-13(2)17(12)18-16(19)11-21-15-9-7-14(20-3)8-10-15/h4-10H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,20,4,3,5,15,17,14,18,11,2,6,16,13,9,7,8,10,19,12/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:21nCCCCCCCNCOCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9289 |
Area: | 493.876 |
Solvation: | -5.41799 |
Coulombic: | -34.9819 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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