Chemical ID: 3896912

CCOc1ccc(c(c1)NC(=O)c2c(c3ccccc3o2)C)OCC
Chemical ID:
3896912
Name [?]:
N-(2,5-diethoxyphenyl)-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCOc1ccc(c(c1)NC(=O)c2c(c3ccccc3o2)C)OCC
InChi [?]:
InChI=1/C20H21NO4/c1-4-23-14-10-11-18(24-5-2)16(12-14)21-20(22)19-13(3)15-8-6-7-9-17(15)25-19/h6-12H,4-5H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,22,2,24,17,18,16,19,5,6,9,14,4,15,8,20,7,13,11,10,12,3,23,21/rA:25nCCOCCCCCCNCOCCCCCCCCOCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s14;s7;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.90318
Area:564.942
Solvation:-4.22036
Coulombic:-46.4275
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.385
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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