ChemDB: Chemical Search
Download
Chemical ID: 3842031
Chemical ID:
3842031
Name [?]:
N-(2,6-diethylphenyl)-2-(2-ethoxy-4-formyl-phenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccc(cc2OCC)C=O)CC
InChi [?]:
InChI=1/C21H25NO4/c1-4-16-8-7-9-17(5-2)21(16)22-20(24)14-26-18-11-10-15(13-23)12-19(18)25-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,22,2,25,21,5,4,6,16,15,18,23,12,17,3,7,14,19,10,8,9,24,11,20,13/E:(1,2)(4,5)(8,9)(16,17)/rA:26nCCCCCCCCNCOCOCCCCCCOCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s17;d23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.23279 |
Area: | 603.161 |
Solvation: | -7.84623 |
Coulombic: | -41.4468 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 355.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.07 |
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 |
---|