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Chemical ID: 4209347
Chemical ID:
4209347
Name [?]:
2-(4-ethylphenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C19H23NO2/c1-4-15-9-11-16(12-10-15)22-13-19(21)20-18-8-6-5-7-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,2,17,16,18,15,4,8,5,7,10,20,3,6,19,14,11,13,12,9/E:(2,3)(9,10)(11,12)/rA:22nCCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38787 |
Area: | 531.64 |
Solvation: | -3.90311 |
Coulombic: | -30.1847 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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