ChemDB: Chemical Search
Download
Chemical ID: 6973798
Chemical ID:
6973798
Name [?]:
N-ethyl-2-(3-methylphenoxy)-N-phenyl-acetamide
SMILES [?]:
CCN(c1ccccc1)C(=O)COc2cccc(c2)C
InChi [?]:
InChI=1/C17H19NO2/c1-3-18(15-9-5-4-6-10-15)17(19)13-20-16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,7,6,8,16,17,5,9,15,19,12,18,4,14,10,3,11,13/E:(5,6)(9,10)/rA:20nCCNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03769 |
Area: | 484.036 |
Solvation: | -4.06322 |
Coulombic: | -24.9653 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.46 |
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 |
---|