ChemDB: Chemical Search
Download
Chemical ID: 4209381
Chemical ID:
4209381
Name [?]:
2-(2,5-dimethylphenoxy)-N-(1-phenylethyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NC(C)c2ccccc2)C
InChi [?]:
InChI=1/C18H21NO2/c1-13-9-10-14(2)17(11-13)21-12-18(20)19-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,14,18,17,19,16,20,3,4,7,9,2,5,13,15,6,10,12,11,8/E:(5,6)(7,8)/rA:21cCCCCCCCOCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.96942 |
Area: | 511.629 |
Solvation: | -3.82131 |
Coulombic: | -30.6843 |
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: | 4.01 |
LogP (Chemaxon): | 3.84 |
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 |
---|