Carbamic acid,(1-carbamoyl-2-indol-3-ylethyl)-, benzyl ester (7CI,8CI) (27018-75-3)

The N-[(Benzyloxy)carbonyl]tryptophanamide with the CAS number 27018-75-3 is also called Carbamic acid,(1-carbamoyl-2-indol-3-ylethyl)-, benzyl ester (7CI,8CI). Its molecular formula is C₁₉H₁₉N₃O₃. The product category is Amino Acids & Derivatives. This chemical is an amino acid amide and intermediate in the preparation of L-Tryptophanamide Hydrochloride.

The properties of the chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.94; (6)ACD/BCF (pH 7.4): 52.92; (7)ACD/KOC (pH 5.5): 596.32; (8)ACD/KOC (pH 7.4): 596.12; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 54.78 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 95.35 cm³; (15)Molar Volume: 258.3 cm³; (16)Polarizability: 37.8×10^-24cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Enthalpy of Vaporization: 96.82 kJ/mol; (19)Vapour Pressure: 3.58×10^-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(NC(=O)OCc1ccccc1)Cc3c2ccccc2nc3
(2)InChI: InChI=1/C19H19N3O3/c20-18(23)17(10-14-11-21-16-9-5-4-8-15(14)16)22-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,21H,10,12H2,(H2,20,23)(H,22,24)
(3)InChIKey: GGRKLCWXRBTPLH-UHFFFAOYAO