ChemDB: Chemical Search
Download
Chemical ID: 3959471
Chemical ID:
3959471
Name [?]:
2-(2-dimethylaminoethylamino)-N-(2-furylmethyl)propanamide
SMILES [?]:
CC(C(=O)NCc1ccco1)NCCN(C)C
InChi [?]:
InChI=1/C12H21N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,9,8,13,14,10,6,2,7,3,12,5,15,4,11/E:(2,3)/rA:17cCCCONCCCCCONCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s2;s12;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21N3O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.77292 |
Area: | 468.102 |
Solvation: | -3.92964 |
Coulombic: | -40.7499 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 239.314 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.22 |
LogP (Chemaxon): | -0.04 |
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 |
---|