TL;DR: N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide (CAS 523991-31-3) is a chemical compound with molecular formula C17H30N2O2 and molecular weight 294.23074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-3-(3-propan-2-yloxypropyl)urea
Also Known As: 1-(1-adamantyl)-3-(3-propan-2-yloxypropyl)urea, N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide, N-(1-ADAMANTYL)-N'-(3-ISOPROPOXYPROPYL)UREA, 1-((1S,3s)-adamantan-1-yl)-3-(3-isopropoxypropyl)urea, 1-[3-(propan-2-yloxy)propyl]-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea
| Molecular Formula | C17H30N2O2 |
| Molecular Weight | 294.23074 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.23074 Da |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
| SMILES | CC(C)OCCCNC(=O)NC12CC3CC(C1)CC(C3)C2 |
| InChIKey | FXAPRBFSZPNSKE-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide is 523991-31-3.
The molecular formula of N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide is C17H30N2O2.
The molecular weight of N-adamantanyl{[3-(methylethoxy)propyl]amino}carboxamide is 294.23074 g/mol.
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