ChemDB: Chemical Search
Download
Chemical ID: 6345365
Chemical ID:
6345365
Name [?]:
N-(2,5-dimethoxyphenyl)-2-phenyl-acetamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)Cc2ccccc2)OC
InChi [?]:
InChI=1/C16H17NO3/c1-19-13-8-9-15(20-2)14(11-13)17-16(18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,16,15,17,14,18,4,5,12,8,13,3,7,6,10,9,11,2,19/E:(4,5)(6,7)/rA:20nCOCCCCCCNCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s6;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98817 |
Area: | 474.496 |
Solvation: | -4.87422 |
Coulombic: | -35.2321 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.71 |
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 |
---|