ChemDB: Chemical Search
Download
Chemical ID: 4455890
Chemical ID:
4455890
Name [?]:
N-methyl-2-(3-methylphenoxy)-N-phenyl-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)N(C)c2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-13-7-6-10-15(11-13)19-12-16(18)17(2)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,17,16,18,4,3,15,19,5,7,9,2,14,6,10,12,11,8/E:(4,5)(8,9)/rA:19nCCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42152 |
Area: | 462.975 |
Solvation: | -4.15284 |
Coulombic: | -24.6581 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.11 |
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 |
---|