TL;DR: N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide (CAS 1005099-26-2) is a chemical compound with molecular formula C30H37NO3 and molecular weight 459.27734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide
Also Known As: N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide, N-[3-(3,3-dimethyloxan-4-yl)-3-phenyl-propyl]-3-(2-furyl)-3-(4-methylphenyl)propanamide, beta-(4-Methylphenyl)-N-[3-phenyl-3-(tetrahydro-3,3-dimethyl-2H-pyran-4-yl)propyl]-2-furanpropanamide, I(2)-(4-Methylphenyl)-N-[3-phenyl-3-(tetrahydro-3,3-dimethyl-2H-pyran-4-yl)propyl]-2-furanpropanamide, N-(3-(3,3-dimethyltetrahydro-2H-pyran-4-yl)-3-phenylpropyl)-3-(furan-2-yl)-3-(p-tolyl)propanamide
| Molecular Formula | C30H37NO3 |
| Molecular Weight | 459.27734 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.27734 Da |
| Heavy Atoms | 34 |
| Complexity | 621.0 |
| SMILES | CC1=CC=C(C=C1)C(CC(=O)NCCC(C2CCOCC2(C)C)C3=CC=CC=C3)C4=CC=CO4 |
| InChIKey | IDEHHRZVIAGJIY-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide is 1005099-26-2.
The molecular formula of N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide is C30H37NO3.
The molecular weight of N-[3-(3,3-dimethyloxan-4-yl)-3-phenylpropyl]-3-(furan-2-yl)-3-(4-methylphenyl)propanamide is 459.27734 g/mol.
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