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Chemical ID: 6540276
Chemical ID:
6540276
Name [?]:
N-(2,6-diisopropylphenyl)-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2c(cccc2C(C)C)C(C)C
InChi [?]:
InChI=1/C22H29NO2/c1-6-17-10-12-18(13-11-17)25-14-21(24)23-22-19(15(2)3)8-7-9-20(22)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,24,25,2,17,18,16,4,8,5,7,10,20,23,3,6,19,15,11,14,13,12,9/E:(2,3,4,5)(8,9)(10,11)(12,13)(15,16)(19,20)/rA:25nCCCCCCCCOCCONCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s15;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6244 |
Area: | 584.245 |
Solvation: | -3.98173 |
Coulombic: | -30.4844 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.96 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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