ChemDB: Chemical Search
Download
Chemical ID: 4297170
Chemical ID:
4297170
Name [?]:
N-[2-[2-[2-(2-acetamidophenoxy)ethoxy]ethoxy]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1OCCOCCOc2ccccc2NC(=O)C
InChi [?]:
InChI=1/C20H24N2O5/c1-15(23)21-17-7-3-5-9-19(17)26-13-11-25-12-14-27-20-10-6-4-8-18(20)22-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,7,21,8,20,6,22,9,19,13,15,12,16,2,25,5,23,10,18,4,24,3,26,14,11,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/gE:(1,2)/rA:27nCCONCCCCCCOCCOCCOCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72653 |
Area: | 632.508 |
Solvation: | -8.08617 |
Coulombic: | -61.3327 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.415 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.9 |
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 |
---|