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Chemical ID: 6984956
Chemical ID:
6984956
Name [?]:
2-(4-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COc2ccc(cc2)OC)C
InChi [?]:
InChI=1/C18H21NO3/c1-12-9-13(2)18(14(3)10-12)19-17(20)11-22-16-7-5-15(21-4)6-8-16/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,16,18,15,19,7,3,12,2,6,4,17,14,10,5,9,11,20,13/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:22nCCCCCCCCNCOCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52949 |
Area: | 515.112 |
Solvation: | -5.34831 |
Coulombic: | -34.7823 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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