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Chemical ID: 4144469
Chemical ID:
4144469
Name [?]:
2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)COc2cccc(c2C)C
InChi [?]:
InChI=1/C18H21NO2/c1-4-15-8-10-16(11-9-15)19-18(20)12-21-17-7-5-6-13(2)14(17)3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,2,16,17,15,4,8,5,7,12,18,19,3,6,14,10,9,11,13/E:(8,9)(10,11)/rA:21nCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76949 |
Area: | 506.633 |
Solvation: | -3.89633 |
Coulombic: | -29.3123 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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