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Chemical ID: 6644077
Chemical ID:
6644077
Name [?]:
N-[(4-allyloxyphenyl)methyleneamino]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(cc2)OCC=C)C(C)C
InChi [?]:
InChI=1/C22H26N2O3/c1-5-12-26-19-9-7-18(8-10-19)14-23-24-22(25)15-27-21-13-17(4)6-11-20(21)16(2)3/h5-11,13-14,16H,1,12,15H2,2-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:24,26,27,1,23,3,16,20,17,19,4,22,7,14,9,25,2,15,18,5,6,10,13,12,11,21,8/E:(2,3)(7,8)(9,10)/rA:27nCCCCCCCOCCONNCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s5;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31683 |
Area: | 638.556 |
Solvation: | -6.64708 |
Coulombic: | -35.5121 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 366.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.84 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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