ChemDB: Chemical Search
Download
Chemical ID: 5848382
Chemical ID:
5848382
Name [?]:
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2cc(ccc2OC)C
InChi [?]:
InChI=1/C18H21NO3/c1-12-5-7-16(14(3)9-12)22-11-18(20)19-15-10-13(2)6-8-17(15)21-4/h5-10H,11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,8,21,3,17,4,18,7,15,10,2,16,6,14,5,19,11,13,12,20,9/rA:22nCCCCCCCCOCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34357 |
Area: | 521.606 |
Solvation: | -4.69659 |
Coulombic: | -36.4737 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.69 |
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 |
---|