ChemDB: Chemical Search
Download
Chemical ID: 7344427
Chemical ID:
7344427
Name [?]:
2-(3,4-dimethoxyphenyl)-N-(3-oxo-1-phenyl-butyl)-acetamide
SMILES [?]:
CC(=O)CC(c1ccccc1)NC(=O)Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H23NO4/c1-14(22)11-17(16-7-5-4-6-8-16)21-20(23)13-15-9-10-18(24-2)19(12-15)25-3/h4-10,12,17H,11,13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,9,8,10,7,11,17,18,4,21,15,2,16,6,5,19,20,13,12,3,14,24,22/E:(5,6)(7,8)/rA:25cCCOCCCCCCCCNCOCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.06814 |
Area: | 571.567 |
Solvation: | -7.22104 |
Coulombic: | -41.4899 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.67 |
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 |
---|