ChemDB: Chemical Search
Download
Chemical ID: 6915523
Chemical ID:
6915523
Name [?]:
3-oxo-N-(2-oxotetrahydrofuran-3-yl)-octanamide
SMILES [?]:
CCCCCC(=O)CC(=O)NC1CCOC1=O
InChi [?]:
InChI=1/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,13,14,8,6,12,9,16,11,7,10,17,15/rA:17cCCCCCCOCCONCCCOCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s9;s11;s12;s13;s14;s12s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO4 |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.60553 |
Area: | 454.414 |
Solvation: | -6.75482 |
Coulombic: | -41.6826 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.08 |
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 |
---|