TL;DR: (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide (CAS 120402-48-4) is a chemical compound with molecular formula C20H22N2O and molecular weight 306.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide
Also Known As: (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide, (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide, (2Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(4-methylphenyl)ethanamide, (z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene)-N-(4-methylphenyl)acetamide, 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide
| Molecular Formula | C20H22N2O |
| Molecular Weight | 306.17322 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.17322 Da |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)/C=C\2/C3=CC=CC=C3CC(N2)(C)C |
| InChIKey | BXCCVZJYGJIDAV-PDGQHHTCSA-N |
The XLogP value of 4.0 indicates that (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide 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 (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide is 120402-48-4.
The molecular formula of (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide is C20H22N2O.
The molecular weight of (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide is 306.17322 g/mol.
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