ChemDB: Chemical Search
Download
Chemical ID: 7276985
Chemical ID:
7276985
Name [?]:
N-(2-methoxy-5-methyl-phenyl)-3-(4-methylphenoxy)-propanamide
SMILES [?]:
Cc1ccc(cc1)OCCC(=O)Nc2cc(ccc2OC)C
InChi [?]:
InChI=1/C18H21NO3/c1-13-4-7-15(8-5-13)22-11-10-18(20)19-16-12-14(2)6-9-17(16)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,3,7,17,4,6,18,10,9,15,2,16,5,14,19,11,13,12,20,8/E:(4,5)(7,8)/rA:22nCCCCCCCOCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36741 |
Area: | 526.189 |
Solvation: | -3.78731 |
Coulombic: | -36.4557 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.74 |
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 |
---|