2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride

C15H21ClN2O3 — CID 119781826

IUPAC2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc2c(c1)C(=O)CCC2.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-20-8-7-16-10-15(19)17-12-6-5-11-3-2-4-14(18)13(11)9-12;/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19);1H
InChIKeyILHWWOMMDUNZQI-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride (PubChem CID 119781826) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
PubChem CID119781826
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc2c(c1)C(=O)CCC2.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-20-8-7-16-10-15(19)17-12-6-5-11-3-2-4-14(18)13(11)9-12;/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19);1H
InChIKeyILHWWOMMDUNZQI-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride (CID 119781826) is 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc2c(c1)C(=O)CCC2.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
The InChIKey is ILHWWOMMDUNZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-20-8-7-16-10-15(19)17-12-6-5-11-3-2-4-14(18)13(11)9-12;/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119781826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).