ChemDB: Chemical Search
Download
Chemical ID: 6987673
Chemical ID:
6987673
Name [?]:
N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)COc2ccccc2C(C)C
InChi [?]:
InChI=1/C20H24N2O4/c1-4-25-19-11-15(9-10-17(19)23)12-21-22-20(24)13-26-18-8-6-5-7-16(18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,21,20,22,19,7,8,5,11,16,24,6,23,9,18,4,14,12,13,10,15,3,17/E:(2,3)/rA:26nCCOCCCCCCOCNNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49986 |
Area: | 619.241 |
Solvation: | -7.98117 |
Coulombic: | -49.3106 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.02 |
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 |
---|