Responsive image

Common name

2-methyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide

IUPAC name

2-methyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide

SMILES

O=C(NC)CNC(=O)C(C)C

Common name

2-methyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide

IUPAC name

2-methyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide

SMILES

O=C(NC)CNC(=O)C(C)C

INCHI

InChI=1S/C7H14N2O2/c1-5(2)7(11)9-4-6(10)8-3/h5H,4H2,1-3H3,(H,8,10)(H,9,11)

FORMULA

C7H14N2O2

Responsive image

Common name

2-methyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide

IUPAC name

2-methyl-N-[2-(methylamino)-2-oxo-ethyl]propanamide





Molecular weight

158.198

clogP

-0.041

clogS

-1.483

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

58.2

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00100 Remikiren Responsive image Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; For the treatment of hypertension and heart failure.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1mnc_ligand_6_62.mol2 1mnc 1 -6.89 C[C@@H](C(=O)NC)NC(=O)C(C)C 12
1rm8_ligand_6_825.mol2 1rm8 1 -6.84 C(=O)(N[C@H](C(=O)NC)C)C(C)C 12
1a7c_ligand_4_967.mol2 1a7c 1 -6.75 C(=O)(NCC(=O)NC)CC 10
4gr3_ligand_7_426.mol2 4gr3 1 -6.70 [C@H](C(=O)NC)(NC(=O)C(C)C)C 12
1dth_ligand_6_462.mol2 1dth 1 -6.68 CC(C)C(=O)N[C@H](C(=O)NC)C 12
1izh_ligand_7_26035.mol2 1izh 1 -6.66 N(C(=O)C(C)C)[C@H](C(=O)NC)C 12
1mnc_ligand_5_75.mol2 1mnc 1 -6.64 CC(C)C(=O)NCC(=O)NC 11
3d91_ligand_7_8129.mol2 3d91 1 -6.62 C[C@H](NC(=O)C(C)C)C(=O)NC 12
4gql_ligand_7_646.mol2 4gql 1 -6.60 CC(C(=O)N[C@H](C(=O)NC)C)C 12
412 , 42