TL;DR: benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate (CAS 1030839-36-1) is a chemical compound with molecular formula C27H32N2O3 and molecular weight 432.2413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[1-(2-adamantylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate, benzyl [1-oxo-3-phenyl-1-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)propan-2-yl]carbamate, benzyl N-[1-(2-adamantylamino)-1-oxo-3-phenylpropan-2-yl]carbamate, benzyl (1-(adamantan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)carbamate, BENZYL N-[2-(2-ADAMANTYLAMINO)-1-BENZYL-2-OXOETHYL]CARBAMATE
| Molecular Formula | C27H32N2O3 |
| Molecular Weight | 432.2413 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.2413 Da |
| Heavy Atoms | 32 |
| Complexity | 625.0 |
| SMILES | C1C2CC3CC1CC(C2)C3NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
| InChIKey | JUTLKWFISFWJLQ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate. Following Lipinski's Rule of Five, benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate is 1030839-36-1.
The molecular formula of benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate is C27H32N2O3.
The molecular weight of benzyl [2-(2-adamantylamino)-1-benzyl-2-oxoethyl]carbamate is 432.2413 g/mol.
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