About 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride (PubChem CID 142429224) has the molecular formula C19H24ClNO
and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride.
Molecular Properties
| Compound Name | 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride |
| PubChem CID | 142429224 |
| Molecular Formula | C19H24ClNO |
| Molecular Weight | 317.86 g/mol |
| Exact Mass | 317.15 |
| IUPAC Name | 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride |
| SMILES | CCCCC(C(N)=O)(c1ccccc1)c1ccc(C)cc1.Cl |
| InChI | InChI=1S/C19H23NO.ClH/c1-3-4-14-19(18(20)21,16-8-6-5-7-9-16)17-12-10-15(2)11-13-17;/h5-13H,3-4,14H2,1-2H3,(H2,20,21);1H |
| InChIKey | XAIPUSMYVXNADG-UHFFFAOYSA-N |
| XLogP | 4.38 |
| TPSA | 43.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 317.86 |
| LogP ≤ 5 | 4.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride (CID 142429224) is 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride is CCCCC(C(N)=O)(c1ccccc1)c1ccc(C)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride?
The InChIKey is XAIPUSMYVXNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-3-4-14-19(18(20)21,16-8-6-5-7-9-16)17-12-10-15(2)11-13-17;/h5-13H,3-4,14H2,1-2H3,(H2,20,21);1H.
What are the key properties of 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride?
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride is sourced from PubChem (CID 142429224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).