Common name
N-methyl-N-propan-2-ylformamide
IUPAC name
N-methyl-N-propan-2-ylformamide
SMILES
CN(C(C)C)C=O
Common name
N-methyl-N-propan-2-ylformamide
IUPAC name
N-methyl-N-propan-2-ylformamide
SMILES
CN(C(C)C)C=O
INCHI
InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3
FORMULA
C5H11NO
Common name
N-methyl-N-propan-2-ylformamide
IUPAC name
N-methyl-N-propan-2-ylformamide
Molecular weight
101.147
clogP
-0.110
clogS
-0.298
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
0
Rotatable Bond
2
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sdv_ligand_1_2.mol2 | 1sdv | 1 | -6.36 | C(C)(C)(C)NC=O | 7 |
| 2q64_ligand_1_2.mol2 | 2q64 | 1 | -6.36 | C(=O)NC(C)(C)C | 7 |
| 2r5p_ligand_1_2.mol2 | 2r5p | 1 | -6.36 | C(C)(C)(C)NC=O | 7 |
| 1sdt_ligand_1_2.mol2 | 1sdt | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
| 2avv_ligand_1_2.mol2 | 2avv | 1 | -6.35 | C(C)(C)(C)NC=O | 7 |
| 2fgu_ligand_1_12.mol2 | 2fgu | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
| 2q63_ligand_1_2.mol2 | 2q63 | 1 | -6.35 | C(C)(C)(C)NC=O | 7 |
| 3ekx_ligand_1_2.mol2 | 3ekx | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
| 1sdu_ligand_1_2.mol2 | 1sdu | 1 | -6.34 | C(=O)NC(C)(C)C | 7 |
| 1sgu_ligand_1_2.mol2 | 1sgu | 1 | -6.34 | C(=O)NC(C)(C)C | 7 |
131 ,
14
