ChemDB: Chemical Search
Download
Chemical ID: 4158161
Chemical ID:
4158161
Name [?]:
2-(2-ethylphenoxy)-N-(2-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)COc2ccccc2CC
InChi [?]:
InChI=1/C18H21NO2/c1-3-14-9-5-7-11-16(14)19-18(20)13-21-17-12-8-6-10-15(17)4-2/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,5,17,6,16,4,18,7,15,12,3,19,8,14,10,9,11,13/rA:21nCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75322 |
Area: | 502.44 |
Solvation: | -3.80778 |
Coulombic: | -30.0824 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.95 |
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 |
---|