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Chemical ID: 4146232
Chemical ID:
4146232
Name [?]:
2-(3,5-dimethylphenoxy)-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)COc2cc(cc(c2)C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12-7-13(2)9-17(8-12)21-11-18(20)19-16-6-5-14(3)15(4)10-16/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,8,3,4,17,19,15,6,12,18,16,2,7,5,14,10,9,11,13/E:(1,2)(8,9)(12,13)/rA:21nCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7721 |
Area: | 508.981 |
Solvation: | -3.95243 |
Coulombic: | -28.6192 |
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: | 4.42 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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