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Chemical ID: 6988833
Chemical ID:
6988833
Name [?]:
N-(2,5-dimethylphenyl)-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccccc2C(C)C)C
InChi [?]:
InChI=1/C19H23NO2/c1-13(2)16-7-5-6-8-18(16)22-12-19(21)20-17-11-14(3)9-10-15(17)4/h5-11,13H,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,21,1,22,16,15,17,14,3,4,7,11,19,2,5,18,6,13,9,8,10,12/E:(1,2)/rA:22nCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27049 |
Area: | 524.597 |
Solvation: | -3.84444 |
Coulombic: | -29.8584 |
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: | 4.53 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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