Chemical ID: 7253068

COc1cc(ccc1OCC(=O)Nc2ccc(cc2)N3CCOCC3)C#N
Chemical ID:
7253068
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc(cc2)N3CCOCC3)C#N
InChi [?]:
InChI=1/C20H21N3O4/c1-25-19-12-15(13-21)2-7-18(19)27-14-20(24)22-16-3-5-17(6-4-16)23-8-10-26-11-9-23/h2-7,12H,8-11,14H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,15,19,16,18,7,21,25,22,24,4,26,10,5,14,17,8,3,11,27,13,20,12,2,23,9/E:(3,4)(5,6)(8,9)(10,11)/rA:27nCOCCCCCCOCCONCCCCCCNCCOCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;s23;s20s24;s5;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O4
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.29095
Area:603.175
Solvation:-8.78843
Coulombic:-50.5112
Bond Count [?]
All:29
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.399
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.85
LogP (Chemaxon):2.36

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