1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one

C15H18N2O3 — CID 82151907

IUPAC1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
SMILESCCOc1cccn(CCOc2ccc(N)cc2)c1=O
InChIInChI=1S/C15H18N2O3/c1-2-19-14-4-3-9-17(15(14)18)10-11-20-13-7-5-12(16)6-8-13/h3-9H,2,10-11,16H2,1H3
InChIKeyZQDFSOFLXVCDNC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one

1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one (PubChem CID 82151907) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
PubChem CID82151907
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
SMILESCCOc1cccn(CCOc2ccc(N)cc2)c1=O
InChIInChI=1S/C15H18N2O3/c1-2-19-14-4-3-9-17(15(14)18)10-11-20-13-7-5-12(16)6-8-13/h3-9H,2,10-11,16H2,1H3
InChIKeyZQDFSOFLXVCDNC-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
CID 94758816
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
1-[3-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579177
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one (CID 82151907) is 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one is CCOc1cccn(CCOc2ccc(N)cc2)c1=O.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one?
The InChIKey is ZQDFSOFLXVCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-19-14-4-3-9-17(15(14)18)10-11-20-13-7-5-12(16)6-8-13/h3-9H,2,10-11,16H2,1H3.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one?
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one is sourced from PubChem (CID 82151907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).