ChemDB: Chemical Search
Download
Chemical ID: 6032689
Chemical ID:
6032689
Name [?]:
N-hexyl-N-[2-(propylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCCCCCN(CCC(=O)NCCC)C(=O)c1ccoc1
InChi [?]:
InChI=1/C17H28N2O3/c1-3-5-6-7-11-19(12-8-16(20)18-10-4-2)17(21)15-9-13-22-14-15/h9,13-14H,3-8,10-12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,15,2,14,3,4,5,9,19,13,6,8,20,22,18,10,16,12,7,11,17,21/rA:22nCCCCCCNCCCONCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s7;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8418 |
Area: | 573.665 |
Solvation: | -3.49982 |
Coulombic: | -44.6104 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 308.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.29 |
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 |
---|