Chemical ID: 7263355

Cc1cc(c(c(c1)OC)OCC(=O)Nc2cccc(c2)C#N)OC
Chemical ID:
7263355
Name [?]:
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)OC)OCC(=O)Nc2cccc(c2)C#N)OC
InChi [?]:
InChI=1/C18H18N2O4/c1-12-7-15(22-2)18(16(8-12)23-3)24-11-17(21)20-14-6-4-5-13(9-14)10-19/h4-9H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,24,17,18,16,7,3,20,21,11,2,19,15,6,4,12,5,22,14,13,8,23,10/E:(2,3)(7,8)(15,16)(22,23)/rA:24nCCCCCCCOCOCCONCCCCCCCNOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;s4;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O4
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.52028
Area:557.156
Solvation:-7.40863
Coulombic:-45.6565
Bond Count [?]
All:25
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:326.347
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.26
LogP (Chemaxon):2.65

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Descriptor Annotations

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