ChemDB: Chemical Search
Download
Chemical ID: 3991222
Chemical ID:
3991222
Name [?]:
N,N'-bis(tetrahydrofuran-2-ylmethyl)propanediamide
SMILES [?]:
C1CC(OC1)CNC(=O)CC(=O)NCC2CCCO2
InChi [?]:
InChI=1/C13H22N2O4/c16-12(14-8-10-3-1-5-18-10)7-13(17)15-9-11-4-2-6-19-11/h10-11H,1-9H2,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,5,18,10,6,14,3,15,8,11,7,13,9,12,4,19/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/gE:(1,2)/rA:19cCCCOCCNCOCCONCCCCCO/rB:s1;s2;s3;s1s4;s3;s6;s7;d8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.75087 |
Area: | 490.11 |
Solvation: | -6.50188 |
Coulombic: | -53.2788 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 270.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.01 |
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 |
---|