2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C16H22N2O2 — CID 78912525

IUPAC2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOCCNCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-20-12-9-17-13-16(19)18-10-7-15(8-11-18)14-5-3-2-4-6-14/h2-7,17H,8-13H2,1H3
InChIKeyBOBVUUWOXNYWRE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 78912525) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID78912525
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOCCNCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-20-12-9-17-13-16(19)18-10-7-15(8-11-18)14-5-3-2-4-6-14/h2-7,17H,8-13H2,1H3
InChIKeyBOBVUUWOXNYWRE-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111263224
N-[2-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 166196938
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 38168396
N-[4-(2-methoxyethoxy)butyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263345
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349
2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
CID 18129615
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8599291
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8638393
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 78912525) is 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is COCCNCC(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is BOBVUUWOXNYWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-12-9-17-13-16(19)18-10-7-15(8-11-18)14-5-3-2-4-6-14/h2-7,17H,8-13H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 78912525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).