Chemical ID: 7206860

CCOc1cc(ccc1OCC(=O)Nc2ccccc2OC)C#N
Chemical ID:
7206860
Name [?]:
2-(4-cyano-2-ethoxy-phenoxy)-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)Nc2ccccc2OC)C#N
InChi [?]:
InChI=1/C18H18N2O4/c1-3-23-17-10-13(11-19)8-9-16(17)24-12-18(21)20-14-6-4-5-7-15(14)22-2/h4-10H,3,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,16,19,7,8,5,23,11,6,15,20,9,4,12,24,14,13,21,3,10/rA:24nCCOCCCCCCOCCONCCCCCCOCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s6;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O4
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.58442
Area:562.425
Solvation:-7.47619
Coulombic:-45.1499
Bond Count [?]
All:25
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:326.347
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.38
LogP (Chemaxon):2.53

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Descriptor Annotations

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