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Chemical ID: 4155009
Chemical ID:
4155009
Name [?]:
N-(o-tolyl)-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2c(ccc(c2C)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-9-10-14(3)18(15(12)4)21-11-17(20)19-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,1,21,19,4,5,3,6,16,15,11,17,2,14,18,7,9,13,8,10,12/rA:21nCCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83293 |
Area: | 497.349 |
Solvation: | -3.60079 |
Coulombic: | -29.5287 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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