Chemical ID: 6644077

Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(cc2)OCC=C)C(C)C
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

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