ChemDB: Chemical Search
Download
Chemical ID: 3637423
Chemical ID:
3637423
Name [?]:
2-(4-benzyloxyphenoxy)-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)COc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C23H23NO3/c1-17-8-9-20(14-18(17)2)24-23(25)16-27-22-12-10-21(11-13-22)26-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,26,23,27,3,4,16,18,15,19,6,21,12,2,7,22,5,17,14,10,9,11,20,13/E:(4,5)(6,7)(10,11)(12,13)/rA:27nCCCCCCCCNCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81871 |
Area: | 616.328 |
Solvation: | -5.5895 |
Coulombic: | -37.115 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.17 |
LogP (Chemaxon): | 5.33 |
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 |
---|