Common name
N-ethyl-2-(methylamino)acetamide
IUPAC name
N-ethyl-2-(methylamino)acetamide
SMILES
C(C(=O)NCC)NC
Common name
N-ethyl-2-(methylamino)acetamide
IUPAC name
N-ethyl-2-(methylamino)acetamide
SMILES
C(C(=O)NCC)NC
INCHI
InChI=1S/C5H12N2O/c1-3-7-5(8)4-6-2/h6H,3-4H2,1-2H3,(H,7,8)
FORMULA
C5H12N2O
Common name
N-ethyl-2-(methylamino)acetamide
IUPAC name
N-ethyl-2-(methylamino)acetamide
Molecular weight
116.162
clogP
-0.303
clogS
-1.462
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00405 | Gadoversetamide |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoversetamide is an MRI contrast agent used for MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zsr_ligand_4_2583.mol2 | 1zsr | 1 | -5.73 | C(NC(=O)C[NH2+]C)C | 8 |
| 1zsf_ligand_4_2583.mol2 | 1zsf | 1 | -5.71 | C(=O)(NCC)C[NH2+]C | 8 |
| 1lzq_ligand_4_2583.mol2 | 1lzq | 1 | -5.69 | C(=O)(NCC)C[NH2+]C | 8 |
| 1iiq_ligand_4_3181.mol2 | 1iiq | 1 | -5.61 | C(=O)(NCC)C[NH2+]C | 8 |
| 1m0b_ligand_4_2583.mol2 | 1m0b | 1 | -5.61 | C[NH2+]CC(=O)NCC | 8 |
| 4baq_ligand_3_35.mol2 | 4baq | 1 | -5.52 | C(C)NC(=O)C[NH2+]C | 8 |
| 4u5s_ligand_4_937.mol2 | 4u5s | 1 | -5.02 | CCNC(=O)C[NH2+]C | 8 |
| 4gid_ligand_4_296.mol2 | 4gid | 0.894737 | -5.93 | C(C)[NH2+]CC(=O)NC | 8 |
| 1lzq_ligand_4_2127.mol2 | 1lzq | 0.894737 | -5.67 | C(=O)(NC)C[NH2+]CC | 8 |
353 ,
36
