ChemDB: Chemical Search
Download
Chemical ID: 4174953
Chemical ID:
4174953
Name [?]:
N-[(2-methoxyphenyl)methyl]-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)NCc2ccccc2OC
InChi [?]:
InChI=1/C17H19NO3/c1-13-7-3-5-9-15(13)21-12-17(19)18-11-14-8-4-6-10-16(14)20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,4,16,5,17,3,15,6,18,13,9,2,14,7,19,10,12,11,20,8/rA:21nCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48836 |
Area: | 505.329 |
Solvation: | -5.14486 |
Coulombic: | -37.1133 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.96 |
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 |
---|