ChemDB: Chemical Search
Download
Chemical ID: 7025086
Chemical ID:
7025086
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C17H17NO4/c1-12-3-2-4-14(7-12)20-10-17(19)18-9-13-5-6-15-16(8-13)22-11-21-15/h2-8H,9-11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,15,16,7,19,13,9,21,2,14,6,17,18,10,12,11,8,22,20/rA:22nCCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47957 |
Area: | 516.958 |
Solvation: | -5.44439 |
Coulombic: | -45.443 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.65 |
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 |
---|