ChemDB: Chemical Search
Download
Chemical ID: 6987670
Chemical ID:
6987670
Name [?]:
2-(2-isopropylphenoxy)-N-[(2-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccccc2OC
InChi [?]:
InChI=1/C19H22N2O3/c1-14(2)16-9-5-7-11-18(16)24-13-19(22)21-20-12-15-8-4-6-10-17(15)23-3/h4-12,14H,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,24,19,6,20,7,18,5,21,8,16,11,2,17,4,22,9,12,15,14,13,23,10/E:(1,2)/rA:24nCCCCCCCCCOCCONNCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30457 |
Area: | 562.031 |
Solvation: | -7.74622 |
Coulombic: | -32.3907 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.78 |
LogP (Chemaxon): | 3.96 |
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 |
---|