ChemDB: Chemical Search
Download
Chemical ID: 4156563
Chemical ID:
4156563
Name [?]:
N-(3,4-dimethoxyphenyl)-4-(4-ethylphenoxy)-butanamide
SMILES [?]:
CCc1ccc(cc1)OCCCC(=O)Nc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H25NO4/c1-4-15-7-10-17(11-8-15)25-13-5-6-20(22)21-16-9-12-18(23-2)19(14-16)24-3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,2,11,12,4,8,17,5,7,18,10,21,3,16,6,19,20,13,15,14,24,22,9/E:(7,8)(10,11)/rA:25nCCCCCCCCOCCCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93424 |
Area: | 597.784 |
Solvation: | -7.01037 |
Coulombic: | -41.1964 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 343.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.67 |
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 |
---|