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

C16H20N2O3 — CID 82151905

IUPAC1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
SMILESCCCOc1cccn(CCOc2ccc(N)cc2)c1=O
InChIInChI=1S/C16H20N2O3/c1-2-11-21-15-4-3-9-18(16(15)19)10-12-20-14-7-5-13(17)6-8-14/h3-9H,2,10-12,17H2,1H3
InChIKeyKUUGXHNRCYQVSN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds7

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

1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one (PubChem CID 82151905) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
PubChem CID82151905
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
SMILESCCCOc1cccn(CCOc2ccc(N)cc2)c1=O
InChIInChI=1S/C16H20N2O3/c1-2-11-21-15-4-3-9-18(16(15)19)10-12-20-14-7-5-13(17)6-8-14/h3-9H,2,10-12,17H2,1H3
InChIKeyKUUGXHNRCYQVSN-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
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'}

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Related Compounds

1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683
2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
CID 94758816
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one (CID 82151905) is 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one is CCCOc1cccn(CCOc2ccc(N)cc2)c1=O.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one?
The InChIKey is KUUGXHNRCYQVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-11-21-15-4-3-9-18(16(15)19)10-12-20-14-7-5-13(17)6-8-14/h3-9H,2,10-12,17H2,1H3.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one?
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.30, 7 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-propoxypyridin-2-one is sourced from PubChem (CID 82151905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).