ChemDB: Chemical Search
Download
Chemical ID: 4245251
Chemical ID:
4245251
Name [?]:
N-ethyl-3,5,6-trimethyl-N-phenyl-benzofuran-2-carboxamide
SMILES [?]:
CCN(c1ccccc1)C(=O)c2c(c3cc(c(cc3o2)C)C)C
InChi [?]:
InChI=1/C20H21NO2/c1-5-21(16-9-7-6-8-10-16)20(22)19-15(4)17-11-13(2)14(3)12-18(17)23-19/h6-12H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,2,7,6,8,5,9,15,18,16,17,13,4,14,19,12,10,3,11,20/E:(7,8)(9,10)/rA:23nCCNCCCCCCCOCCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9928 |
Area: | 503.556 |
Solvation: | -1.59606 |
Coulombic: | -28.7676 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.96 |
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 |
---|