2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide

C16H19N3O4 — CID 94758816

IUPAC2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
SMILESCc1cc(OCCn2cccc(OCC(N)=O)c2=O)ccc1N
InChIInChI=1S/C16H19N3O4/c1-11-9-12(4-5-13(11)17)22-8-7-19-6-2-3-14(16(19)21)23-10-15(18)20/h2-6,9H,7-8,10,17H2,1H3,(H2,18,20)
InChIKeyTUOZQGIUBNTUMW-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.68
Rot. Bonds7

About 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide

2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide (PubChem CID 94758816) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound Name2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
PubChem CID94758816
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
SMILESCc1cc(OCCn2cccc(OCC(N)=O)c2=O)ccc1N
InChIInChI=1S/C16H19N3O4/c1-11-9-12(4-5-13(11)17)22-8-7-19-6-2-3-14(16(19)21)23-10-15(18)20/h2-6,9H,7-8,10,17H2,1H3,(H2,18,20)
InChIKeyTUOZQGIUBNTUMW-UHFFFAOYSA-N
XLogP0.68
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one
CID 82152119
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one
CID 82143957

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide?
The IUPAC name of 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide (CID 94758816) is 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide?
The canonical SMILES for 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide is Cc1cc(OCCn2cccc(OCC(N)=O)c2=O)ccc1N.
What is the InChIKey of 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide?
The InChIKey is TUOZQGIUBNTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-9-12(4-5-13(11)17)22-8-7-19-6-2-3-14(16(19)21)23-10-15(18)20/h2-6,9H,7-8,10,17H2,1H3,(H2,18,20).
What are the key properties of 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide?
2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 94758816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).