Chemical ID: 6644082

Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(cc2)O)C(C)C
Chemical ID:
6644082
Name [?]:
N-[(4-hydroxyphenyl)methyleneamino]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(cc2)O)C(C)C
InChi [?]:
InChI=1/C19H22N2O3/c1-13(2)17-9-4-14(3)10-18(17)24-12-19(23)21-20-11-15-5-7-16(22)8-6-15/h4-11,13,22H,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,3,16,20,17,19,4,7,14,9,22,2,15,18,5,6,10,13,12,21,11,8/E:(1,2)(5,6)(7,8)/rA:24nCCCCCCCOCCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s5;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.9553
Area:567.414
Solvation:-6.23004
Coulombic:-42.3328
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:326.39
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.9
LogP (Chemaxon):4.39

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