ChemDB: Chemical Search
Download
Chemical ID: 6610238
Chemical ID:
6610238
Name [?]:
3-acetamido-N-(benzo[1,3]dioxol-5-ylmethyl)propanamide
SMILES [?]:
CC(=O)NCCC(=O)NCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C13H16N2O4/c1-9(16)14-5-4-13(17)15-7-10-2-3-11-12(6-10)19-8-18-11/h2-3,6H,4-5,7-8H2,1H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,12,13,6,5,16,10,18,2,11,14,15,7,4,9,3,8,19,17/rA:19nCCONCCCONCCCCCCCOCO/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12967 |
Area: | 480.824 |
Solvation: | -4.89093 |
Coulombic: | -55.353 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.277 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.51 |
LogP (Chemaxon): | -0.22 |
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 |
---|