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Chemical ID: 4151404
Chemical ID:
4151404
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2c(cc(cc2C)C)C)C(C)C
InChi [?]:
InChI=1/C21H27NO2/c1-13(2)18-8-7-14(3)11-19(18)24-12-20(23)22-21-16(5)9-15(4)10-17(21)6/h7-11,13H,12H2,1-6H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,20,19,21,3,4,17,15,7,9,22,2,16,18,14,5,6,10,13,12,11,8/E:(1,2)(5,6)(9,10)(16,17)/rA:24nCCCCCCCOCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;s5;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.158 |
Area: | 564.533 |
Solvation: | -3.95529 |
Coulombic: | -29.2138 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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