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Chemical ID: 4158114
Chemical ID:
4158114
Name [?]:
2-(2-ethylphenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2c(cc(cc2C)C)C
InChi [?]:
InChI=1/C19H23NO2/c1-5-16-8-6-7-9-17(16)22-12-18(21)20-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,2,5,6,4,7,18,16,10,17,19,15,3,8,11,14,13,12,9/E:(3,4)(10,11)(14,15)/rA:22nCCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07558 |
Area: | 520.687 |
Solvation: | -3.94159 |
Coulombic: | -29.0509 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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