Propanamide,2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2S)- (175481-37-5)

The (S)-2-Acetamido-N-benzyl-3-methoxypropanamide with the cas number 175481-37-5 is also called Propanamide,2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2S)-. The systematic name is N~2~-acetyl-N-benzyl-O-methylserinamide. Its molecular formula is C₁₃H₁₈N₂O₃. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 74; (8)ACD/KOC (pH 7.4): 74; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity:  67.919 cm³; (15)Molar Volume: 223.395 cm³; (16)Polarizability: 26.925×10^-24cm³; (17)Surface Tension: 41.175 dyne/cm; (18)Enthalpy of Vaporization: 81.314 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)NC(COC)C(=O)NCc1ccccc1
(2)InChI: InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)
(3)InChIKey: VPPJLAIAVCUEMN-UHFFFAOYAI