N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride

C25H29ClN2O — CID 45482447

IUPACN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride
SMILESCc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.Cl
InChIInChI=1S/C25H28N2O.ClH/c1-19-9-11-22(12-10-19)24(17-18-27(2)3)26-25(28)23-15-13-21(14-16-23)20-7-5-4-6-8-20;/h4-16,24H,17-18H2,1-3H3,(H,26,28);1H
InChIKeyQULPJIHBXYDZEO-UHFFFAOYSA-N
MW408.97 g/mol
LogP5.51
Rot. Bonds7

About N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride

N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride (PubChem CID 45482447) has the molecular formula C25H29ClN2O and a molecular weight of 408.97 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride
PubChem CID45482447
Molecular FormulaC25H29ClN2O
Molecular Weight408.97 g/mol
Exact Mass408.20
IUPAC NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride
SMILESCc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.Cl
InChIInChI=1S/C25H28N2O.ClH/c1-19-9-11-22(12-10-19)24(17-18-27(2)3)26-25(28)23-15-13-21(14-16-23)20-7-5-4-6-8-20;/h4-16,24H,17-18H2,1-3H3,(H,26,28);1H
InChIKeyQULPJIHBXYDZEO-UHFFFAOYSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride (CID 45482447) is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride is Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride?
The InChIKey is QULPJIHBXYDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O.ClH/c1-19-9-11-22(12-10-19)24(17-18-27(2)3)26-25(28)23-15-13-21(14-16-23)20-7-5-4-6-8-20;/h4-16,24H,17-18H2,1-3H3,(H,26,28);1H.
What are the key properties of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride?
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide;hydrochloride is sourced from PubChem (CID 45482447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).