ChemDB: Chemical Search
Download
Chemical ID: 4158160
Chemical ID:
4158160
Name [?]:
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2cccc(c2C)C
InChi [?]:
InChI=1/C18H21NO2/c1-4-15-9-5-6-11-17(15)21-12-18(20)19-16-10-7-8-13(2)14(16)3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,2,5,6,16,17,4,15,7,10,18,19,3,14,8,11,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67023 |
Area: | 500.62 |
Solvation: | -3.84526 |
Coulombic: | -29.4665 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
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 |
---|