N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride

C16H21ClN2O — CID 119503851

IUPACN-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
SMILESCNCCNC(=O)C(C)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-12(16(19)18-10-9-17-2)14-8-7-13-5-3-4-6-15(13)11-14;/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19);1H
InChIKeyYRJINTGGOLTWJE-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride

N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride (PubChem CID 119503851) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
PubChem CID119503851
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
SMILESCNCCNC(=O)C(C)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-12(16(19)18-10-9-17-2)14-8-7-13-5-3-4-6-15(13)11-14;/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19);1H
InChIKeyYRJINTGGOLTWJE-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride (CID 119503851) is N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride is CNCCNC(=O)C(C)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride?
The InChIKey is YRJINTGGOLTWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-12(16(19)18-10-9-17-2)14-8-7-13-5-3-4-6-15(13)11-14;/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119503851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).