Responsive image

Common name

(2S)-N,2-dimethyl-3-phenyl-propanamide

IUPAC name

(2S)-N,2-dimethyl-3-phenyl-propanamide

SMILES

CC(Cc1ccccc1)C(=O)NC

Common name

(2S)-N,2-dimethyl-3-phenyl-propanamide

IUPAC name

(2S)-N,2-dimethyl-3-phenyl-propanamide

SMILES

CC(Cc1ccccc1)C(=O)NC

INCHI

InChI=1S/C11H15NO/c1-9(11(13)12-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1

FORMULA

C11H15NO

Responsive image

Common name

(2S)-N,2-dimethyl-3-phenyl-propanamide

IUPAC name

(2S)-N,2-dimethyl-3-phenyl-propanamide





Molecular weight

177.243

clogP

2.256

clogS

-2.866

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

29.1

Number of Rings

1

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
4li6_ligand_4_33.mol2 4li6 1 -7.30 C(Cc1ccccc1)C(=O)NC 12
4li6_ligand_4_29.mol2 4li6 1 -7.26 C(Cc1ccccc1)C(=O)NC 12
1izh_ligand_5_10131.mol2 1izh 1 -7.09 N(C(=O)[C@@H](C)Cc1ccccc1)C 13
1bdr_ligand_5_1266.mol2 1bdr 1 -6.98 CNC(=O)[C@@H](C)Cc1ccccc1 13
4xrq_ligand_3_26.mol2 4xrq 1 -6.92 c1(ccccc1)CCC(=O)NC 12
124 , 13