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Chemical ID: 7474145
Chemical ID:
7474145
Name [?]:
N-(2,6-dimethylphenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2c(cccc2C)C)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)17-10-9-14(3)11-18(17)23-12-19(22)21-20-15(4)7-6-8-16(20)5/h6-11,13H,12H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,19,20,16,17,15,3,4,7,9,21,2,18,14,5,6,10,13,12,11,8/E:(1,2)(4,5)(7,8)(15,16)/rA:23nCCCCCCCOCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s14;s5;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 48 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61541 |
Area: | 542.137 |
Solvation: | -3.938 |
Coulombic: | -29.458 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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