ChemDB: Chemical Search
Download
Chemical ID: 5790628
Chemical ID:
5790628
Name [?]:
2-(4-butylphenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H26N2O4/c1-4-5-6-16-7-10-18(11-8-16)27-15-21(24)23-22-14-17-9-12-19(25-2)20(13-17)26-3/h7-14H,4-6,15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,3,4,6,10,19,7,9,20,23,17,12,5,18,8,21,22,13,16,15,14,26,24,11/E:(7,8)(10,11)/rA:27nCCCCCCCCCCOCCONNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0044 |
Area: | 638.902 |
Solvation: | -8.96815 |
Coulombic: | -39.8215 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.28 |
LogP (Chemaxon): | 4.17 |
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 |
---|