ChemDB: Chemical Search
Download
Chemical ID: 7056029
Chemical ID:
7056029
Name [?]:
2-[4-(2-ethoxyethoxy)phenoxy]-N-(2-hydroxyphenyl)-acetamide
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)Nc2ccccc2O
InChi [?]:
InChI=1/C18H21NO5/c1-2-22-11-12-23-14-7-9-15(10-8-14)24-13-18(21)19-16-5-3-4-6-17(16)20/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,8,12,9,11,4,5,14,7,10,18,23,15,17,24,16,3,6,13/E:(7,8)(9,10)/rA:24nCCOCCOCCCCCCOCCONCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO5 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75887 |
Area: | 574.802 |
Solvation: | -7.61119 |
Coulombic: | -59.0801 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 331.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.52 |
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 |
---|