N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride

C28H29ClN2O — CID 45482423

IUPACN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride
SMILESCN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C28H28N2O.ClH/c1-30(2)18-17-27(25-16-15-22-11-6-7-12-23(22)19-25)29-28(31)26-14-8-13-24(20-26)21-9-4-3-5-10-21;/h3-16,19-20,27H,17-18H2,1-2H3,(H,29,31);1H
InChIKeyZBFDXTROOCDLCJ-UHFFFAOYSA-N
MW445.01 g/mol
LogP6.35
Rot. Bonds7

About N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride

N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride (PubChem CID 45482423) has the molecular formula C28H29ClN2O and a molecular weight of 445.01 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride
PubChem CID45482423
Molecular FormulaC28H29ClN2O
Molecular Weight445.01 g/mol
Exact Mass444.20
IUPAC NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride
SMILESCN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C28H28N2O.ClH/c1-30(2)18-17-27(25-16-15-22-11-6-7-12-23(22)19-25)29-28(31)26-14-8-13-24(20-26)21-9-4-3-5-10-21;/h3-16,19-20,27H,17-18H2,1-2H3,(H,29,31);1H
InChIKeyZBFDXTROOCDLCJ-UHFFFAOYSA-N
XLogP6.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.01
LogP ≤ 56.35
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-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride (CID 45482423) is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride is CN(C)CCC(NC(=O)c1cccc(-c2ccccc2)c1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride?
The InChIKey is ZBFDXTROOCDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O.ClH/c1-30(2)18-17-27(25-16-15-22-11-6-7-12-23(22)19-25)29-28(31)26-14-8-13-24(20-26)21-9-4-3-5-10-21;/h3-16,19-20,27H,17-18H2,1-2H3,(H,29,31);1H.
What are the key properties of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride?
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride has a molecular weight of 445.01 g/mol, XLogP of 6.35, 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-naphthalen-2-ylpropyl]-3-phenylbenzamide;hydrochloride is sourced from PubChem (CID 45482423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).