2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride

C19H24ClNO — CID 142429224

IUPAC2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
SMILESCCCCC(C(N)=O)(c1ccccc1)c1ccc(C)cc1.Cl
InChIInChI=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
InChIKeyXAIPUSMYVXNADG-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.38
Rot. Bonds6

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 Name2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
PubChem CID142429224
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
SMILESCCCCC(C(N)=O)(c1ccccc1)c1ccc(C)cc1.Cl
InChIInChI=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
InChIKeyXAIPUSMYVXNADG-UHFFFAOYSA-N
XLogP4.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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).