ChemDB: Chemical Search
Download
Chemical ID: 4147544
Chemical ID:
4147544
Name [?]:
N-(2,5-dimethoxyphenyl)-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)Nc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C19H23NO4/c1-13(2)15-7-5-6-8-17(15)24-12-19(21)20-16-11-14(22-3)9-10-18(16)23-4/h5-11,13H,12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,24,22,6,7,5,8,18,19,16,11,2,17,4,15,9,20,12,14,13,23,21,10/E:(1,2)/rA:24nCCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.67456 |
Area: | 559.477 |
Solvation: | -6.31236 |
Coulombic: | -43.2983 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.56 |
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 |
---|