ChemDB: Chemical Search
Download
Chemical ID: 7201195
Chemical ID:
7201195
Name [?]:
N-benzylideneamino-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=Cc2ccccc2)C(C)(C)C
InChi [?]:
InChI=1/C20H24N2O2/c1-15-12-17(20(2,3)4)10-11-18(15)24-14-19(23)22-21-13-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,18,17,19,16,20,5,6,3,14,9,2,15,4,7,10,21,13,12,11,8/E:(2,3,4)(6,7)(8,9)/rA:24nCCCCCCCOCCONNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s4;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91376 |
Area: | 563.637 |
Solvation: | -5.17717 |
Coulombic: | -27.7372 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.11 |
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 |
---|