ChemDB: Chemical Search
Download
Chemical ID: 6528261
Chemical ID:
6528261
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-methylamino-benzamide
SMILES [?]:
CNc1ccccc1C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H16N2O3/c1-17-13-5-3-2-4-12(13)16(19)18-9-11-6-7-14-15(8-11)21-10-20-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,14,15,18,12,20,13,8,3,16,17,9,2,11,10,21,19/rA:21nCNCCCCCCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54153 |
Area: | 485.338 |
Solvation: | -3.59192 |
Coulombic: | -51.0719 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.63 |
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 |
---|