1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one

C19H24N2O2 — CID 94746444

IUPAC1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
SMILESCCc1ccc(/C=C/c2ccn(CCOCCN)c(=O)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-21(19(22)15-18)12-14-23-13-10-20/h3-9,11,15H,2,10,12-14,20H2,1H3/b8-7+
InChIKeyABANQPHNTQTNPE-BQYQJAHWSA-N
MW312.41 g/mol
LogP2.56
Rot. Bonds8

About 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one

1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one (PubChem CID 94746444) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
PubChem CID94746444
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
SMILESCCc1ccc(/C=C/c2ccn(CCOCCN)c(=O)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-21(19(22)15-18)12-14-23-13-10-20/h3-9,11,15H,2,10,12-14,20H2,1H3/b8-7+
InChIKeyABANQPHNTQTNPE-BQYQJAHWSA-N
XLogP2.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 82063295
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
4-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]butanenitrile
CID 82152044
3-[4-[(E)-2-(4-fluorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanethioamide
CID 82151233
2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid
CID 106453909
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450
3-(2-oxo-1-propyl-4-pyridinyl)prop-2-enoic acid
CID 151236325
N-[2-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]-N-methyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 176550236
1-[2-(2-aminoethoxy)ethyl]quinolin-4-one
CID 103482325
3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
CID 103482356
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one (CID 94746444) is 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one is CCc1ccc(/C=C/c2ccn(CCOCCN)c(=O)c2)cc1.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
The InChIKey is ABANQPHNTQTNPE-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-21(19(22)15-18)12-14-23-13-10-20/h3-9,11,15H,2,10,12-14,20H2,1H3/b8-7+.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one?
1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 94746444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).