ChemDB: Chemical Search
Download
Chemical ID: 6990124
Chemical ID:
6990124
Name [?]:
N-(4-acetylphenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2ccc(cc2)C(=O)C)C
InChi [?]:
InChI=1/C18H19NO3/c1-12-5-4-6-13(2)18(12)22-11-17(21)19-16-9-7-15(8-10-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,21,4,3,5,15,17,14,18,9,2,6,19,16,13,10,7,12,20,11,8/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:22nCCCCCCCOCCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18434 |
Area: | 516.609 |
Solvation: | -4.73088 |
Coulombic: | -36.1788 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.12 |
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 |
---|