ChemDB: Chemical Search
Download
Chemical ID: 3896912
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|