TL;DR: 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide (CAS 1005130-21-1) is a chemical compound with molecular formula C34H43NO3 and molecular weight 513.3243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
Also Known As: 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide, 3-(3,3-dimethyltetrahydro-2H-pyran-4-yl)-3-phenyl-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}propanamide, 3-(3,3-dimethyltetrahydro-2H-pyran-4-yl)-N-(3-(4-isopropoxyphenyl)-3-phenylpropyl)-3-phenylpropanamide
| Molecular Formula | C34H43NO3 |
| Molecular Weight | 513.3243 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 513.3243 Da |
| Heavy Atoms | 38 |
| Complexity | 686.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(CCNC(=O)CC(C2CCOCC2(C)C)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | UIVWKQGZJDSOIW-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide is 1005130-21-1.
The molecular formula of 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide is C34H43NO3.
The molecular weight of 3-(3,3-dimethyloxan-4-yl)-3-phenyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide is 513.3243 g/mol.
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