ChemDB: Chemical Search
Download
Chemical ID: 4453117
Chemical ID:
4453117
Name [?]:
2-(4-methoxyphenoxy)-N-methyl-N-phenyl-acetamide
SMILES [?]:
CN(c1ccccc1)C(=O)COc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H17NO3/c1-17(13-6-4-3-5-7-13)16(18)12-20-15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,6,5,7,4,8,15,17,14,18,11,3,16,13,9,2,10,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:20nCNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53738 |
Area: | 479.269 |
Solvation: | -5.44435 |
Coulombic: | -30.847 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.39 |
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 |
---|