N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide

C14H22N2O5 — CID 162654544

IUPACN-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C14H22N2O5/c1-11-14(19)13(18)3-5-16(11)6-8-21-10-9-20-7-4-15-12(2)17/h3,5,19H,4,6-10H2,1-2H3,(H,15,17)
InChIKeyICRGZSMSHYAJDY-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.03
Rot. Bonds9

About N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 162654544) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide
PubChem CID162654544
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC NameN-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C14H22N2O5/c1-11-14(19)13(18)3-5-16(11)6-8-21-10-9-20-7-4-15-12(2)17/h3,5,19H,4,6-10H2,1-2H3,(H,15,17)
InChIKeyICRGZSMSHYAJDY-UHFFFAOYSA-N
XLogP0.03
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide (CID 162654544) is N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCn1ccc(=O)c(O)c1C.
What is the InChIKey of N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is ICRGZSMSHYAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-11-14(19)13(18)3-5-16(11)6-8-21-10-9-20-7-4-15-12(2)17/h3,5,19H,4,6-10H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 298.34 g/mol, XLogP of 0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 162654544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).