N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide

C18H20N2O4 — CID 110415100

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCOc1ccc(OCCNC(=O)CCC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H20N2O4/c1-23-15-4-6-16(7-5-15)24-12-11-20-18(22)9-8-17(21)14-3-2-10-19-13-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyRKNFBZLSEMOGJE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.25
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110415100) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110415100
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCOc1ccc(OCCNC(=O)CCC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H20N2O4/c1-23-15-4-6-16(7-5-15)24-12-11-20-18(22)9-8-17(21)14-3-2-10-19-13-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyRKNFBZLSEMOGJE-UHFFFAOYSA-N
XLogP2.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110415100) is N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide is COc1ccc(OCCNC(=O)CCC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is RKNFBZLSEMOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-4-6-16(7-5-15)24-12-11-20-18(22)9-8-17(21)14-3-2-10-19-13-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 328.37 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110415100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).