ChemDB: Chemical Search
Download
Chemical ID: 3953333
Chemical ID:
3953333
Name [?]:
N-isopropyl-2-(tetrahydrofuran-2-ylmethylamino)acetamide
SMILES [?]:
CC(C)NC(=O)CNCC1CCCO1
InChi [?]:
InChI=1/C10H20N2O2/c1-8(2)12-10(13)7-11-6-9-4-3-5-14-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,12,11,13,9,7,2,10,5,8,4,6,14/E:(1,2)/rA:14cCCCNCOCNCCCCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.78885 |
Area: | 407.505 |
Solvation: | -4.39878 |
Coulombic: | -35.7073 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.278 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.23 |
LogP (Chemaxon): | -0.29 |
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 |
---|