TL;DR: 2-chloro-N,N-bis(3-methylbutyl)acetamide (CAS 100395-94-6) is a chemical compound with molecular formula C12H24ClNO and molecular weight 233.15465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N,N-bis(3-methylbutyl)acetamide
Also Known As: 2-chloro-N,N-bis(3-methylbutyl)acetamide, 2-chloro-N,N-bis-(3-methyl-butyl)-acetamide, 2-Chlor-N,N-diisopentyl-acetamid, Acetamide, 2-chloro-N,N-bis(3-methylbutyl)-, chloro-acetic acid diisopentylamide
| Molecular Formula | C12H24ClNO |
| Molecular Weight | 233.15465 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 233.15465 Da |
| Heavy Atoms | 15 |
| Complexity | 168.0 |
| SMILES | CC(C)CCN(CCC(C)C)C(=O)CCl |
| InChIKey | KPTCQTDZEHPOQF-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-chloro-N,N-bis(3-methylbutyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 2-chloro-N,N-bis(3-methylbutyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N,N-bis(3-methylbutyl)acetamide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N,N-bis(3-methylbutyl)acetamide is 100395-94-6.
The molecular formula of 2-chloro-N,N-bis(3-methylbutyl)acetamide is C12H24ClNO.
The molecular weight of 2-chloro-N,N-bis(3-methylbutyl)acetamide is 233.15465 g/mol.
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