ChemDB: Chemical Search
Download
Chemical ID: 5787748
Chemical ID:
5787748
Name [?]:
N-[(2-methoxyphenyl)methyl]-2-phenoxy-acetamide
SMILES [?]:
COc1ccccc1CNC(=O)COc2ccccc2
InChi [?]:
InChI=1/C16H17NO3/c1-19-15-10-6-5-7-13(15)11-17-16(18)12-20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,6,5,7,16,20,4,9,13,8,15,3,11,10,12,2,14/E:(3,4)(8,9)/rA:20nCOCCCCCCCNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00161 |
Area: | 487.438 |
Solvation: | -5.18433 |
Coulombic: | -37.183 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.24 |
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 |
---|