ChemDB: Chemical Search
Download
Chemical ID: 7259547
Chemical ID:
7259547
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(2-propoxyphenoxy)-acetamide
SMILES [?]:
CCCOc1ccccc1OCC(=O)Nc2c(cccc2CC)C
InChi [?]:
InChI=1/C20H25NO3/c1-4-13-23-17-11-6-7-12-18(17)24-14-19(22)21-20-15(3)9-8-10-16(20)5-2/h6-12H,4-5,13-14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,22,7,8,19,18,20,6,9,3,12,17,21,5,10,13,16,15,14,4,11/rA:24nCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 49 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99946 |
Area: | 568.344 |
Solvation: | -6.20914 |
Coulombic: | -36.0255 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.46 |
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 |
---|