Responsive image

Common name

(2S)-2-acetamido-N-ethyl-propanamide

IUPAC name

(2S)-2-acetamido-N-ethyl-propanamide

SMILES

CCNC(=O)C(NC(=O)C)C

Common name

(2S)-2-acetamido-N-ethyl-propanamide

IUPAC name

(2S)-2-acetamido-N-ethyl-propanamide

SMILES

CCNC(=O)C(NC(=O)C)C

INCHI

InChI=1S/C7H14N2O2/c1-4-8-7(11)5(2)9-6(3)10/h5H,4H2,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1

FORMULA

C7H14N2O2

Responsive image

Common name

(2S)-2-acetamido-N-ethyl-propanamide

IUPAC name

(2S)-2-acetamido-N-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
2zu4_ligand_7_18461.mol2 2zu4 1 -6.55 CC(=O)N[C@@H](C)C(=O)NC(C)C 12
2hob_ligand_7_18677.mol2 2hob 1 -6.54 CC(C)NC(=O)[C@H](C)NC(=O)C 12
3d91_ligand_6_7301.mol2 3d91 1 -6.54 C[C@H](NC(=O)C)C(=O)NCC 11
1bxq_ligand_6_7381.mol2 1bxq 1 -6.52 C(C)NC(=O)[C@@H](NC(=O)C)C 11
2zu5_ligand_7_25555.mol2 2zu5 1 -6.48 N(C(=O)C)[C@H](C(=O)NC(C)C)C 12
1ym4_ligand_6_2156.mol2 1ym4 1 -6.47 N(C(=O)C)[C@H](C(=O)NCC)C 11
3duy_ligand_6_10578.mol2 3duy 1 -6.47 C(NC(=O)[C@H](C)NC(=O)C)C 11
2q6f_ligand_7_10669.mol2 2q6f 1 -6.46 C(C)(NC(=O)[C@H](C)NC(=O)C)C 12
190 , 20