N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride

C32H31ClN2O — CID 45481579

IUPACN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride
SMILESCN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C32H30N2O.ClH/c1-34(2)20-19-31(30-18-14-24-8-4-6-10-28(24)22-30)33-32(35)26-15-11-25(12-16-26)29-17-13-23-7-3-5-9-27(23)21-29;/h3-18,21-22,31H,19-20H2,1-2H3,(H,33,35);1H
InChIKeySNGSLMRXLPOCET-UHFFFAOYSA-N
MW495.07 g/mol
LogP7.50
Rot. Bonds7

About N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride

N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride (PubChem CID 45481579) has the molecular formula C32H31ClN2O and a molecular weight of 495.07 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride
PubChem CID45481579
Molecular FormulaC32H31ClN2O
Molecular Weight495.07 g/mol
Exact Mass494.21
IUPAC NameN-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride
SMILESCN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C32H30N2O.ClH/c1-34(2)20-19-31(30-18-14-24-8-4-6-10-28(24)22-30)33-32(35)26-15-11-25(12-16-26)29-17-13-23-7-3-5-9-27(23)21-29;/h3-18,21-22,31H,19-20H2,1-2H3,(H,33,35);1H
InChIKeySNGSLMRXLPOCET-UHFFFAOYSA-N
XLogP7.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.07
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride (CID 45481579) is N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride is CN(C)CCC(NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
The InChIKey is SNGSLMRXLPOCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O.ClH/c1-34(2)20-19-31(30-18-14-24-8-4-6-10-28(24)22-30)33-32(35)26-15-11-25(12-16-26)29-17-13-23-7-3-5-9-27(23)21-29;/h3-18,21-22,31H,19-20H2,1-2H3,(H,33,35);1H.
What are the key properties of N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide;hydrochloride has a molecular weight of 495.07 g/mol, XLogP of 7.50, 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]-4-naphthalen-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 45481579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).