ChemDB: Chemical Search
Download
Chemical ID: 7297215
Chemical ID:
7297215
Name [?]:
2-(4-propanoylphenoxy)-N-(p-tolyl)acetamide
SMILES [?]:
CCC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C18H19NO3/c1-3-17(20)14-6-10-16(11-7-14)22-12-18(21)19-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,20,6,10,17,21,7,9,12,19,5,16,8,3,13,15,4,14,11/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCOCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06972 |
Area: | 524.209 |
Solvation: | -5.0355 |
Coulombic: | -36.0257 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.28 |
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 |
---|