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Chemical ID: 4462921
Chemical ID:
4462921
Name [?]:
N-(2,4-dimethylphenyl)-2-(3-ethyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
CCc1cc(cc(c1)OCC(=O)Nc2ccc(cc2C)C)C
InChi [?]:
InChI=1/C19H23NO2/c1-5-16-9-14(3)10-17(11-16)22-12-19(21)20-18-7-6-13(2)8-15(18)4/h6-11H,5,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,2,16,15,18,4,6,8,10,17,5,19,3,7,14,11,13,12,9/rA:22nCCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48537 |
Area: | 535.093 |
Solvation: | -3.89195 |
Coulombic: | -29.1251 |
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: | 4.68 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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