2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride

C21H23ClN2O — CID 170337610

IUPAC2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1CCN)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H22N2O.ClH/c1-15(18-12-6-9-16-7-2-4-10-19(16)18)23-21(24)20-11-5-3-8-17(20)13-14-22;/h2-12,15H,13-14,22H2,1H3,(H,23,24);1H
InChIKeyHQZIHIOBMUXUQE-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.25
Rot. Bonds5

About 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride

2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride (PubChem CID 170337610) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
PubChem CID170337610
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1ccccc1CCN)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H22N2O.ClH/c1-15(18-12-6-9-16-7-2-4-10-19(16)18)23-21(24)20-11-5-3-8-17(20)13-14-22;/h2-12,15H,13-14,22H2,1H3,(H,23,24);1H
InChIKeyHQZIHIOBMUXUQE-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-enoylhydrazinyl)propyl]benzamide
CID 170337643
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 170337608
methyl 4-[2-[3-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]propanoyl]hydrazinyl]-4-oxobut-2-enoate
CID 172875329
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
3-[3-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]propanoylamino]azetidine-1-carboxylic acid
CID 170337641
N'-[[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]methyl]-N-[(E)-4-oxopent-2-enyl]oxamide
CID 171822344
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(E)-4-[4-[3-[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]propanoyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 170337684

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride (CID 170337610) is 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride is CC(NC(=O)c1ccccc1CCN)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride?
The InChIKey is HQZIHIOBMUXUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O.ClH/c1-15(18-12-6-9-16-7-2-4-10-19(16)18)23-21(24)20-11-5-3-8-17(20)13-14-22;/h2-12,15H,13-14,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride?
2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 170337610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).