2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide

C18H22N2O5 — CID 16853659

IUPAC2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OCc2ccccc2)c(=O)cc1CO
InChIInChI=1S/C18H22N2O5/c1-24-8-7-19-18(23)11-20-10-17(16(22)9-15(20)12-21)25-13-14-5-3-2-4-6-14/h2-6,9-10,21H,7-8,11-13H2,1H3,(H,19,23)
InChIKeyPCHJKNFFINBLFQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.68
Rot. Bonds9

About 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide

2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide (PubChem CID 16853659) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide
PubChem CID16853659
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OCc2ccccc2)c(=O)cc1CO
InChIInChI=1S/C18H22N2O5/c1-24-8-7-19-18(23)11-20-10-17(16(22)9-15(20)12-21)25-13-14-5-3-2-4-6-14/h2-6,9-10,21H,7-8,11-13H2,1H3,(H,19,23)
InChIKeyPCHJKNFFINBLFQ-UHFFFAOYSA-N
XLogP0.68
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.68
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 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide (CID 16853659) is 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(OCc2ccccc2)c(=O)cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PCHJKNFFINBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-24-8-7-19-18(23)11-20-10-17(16(22)9-15(20)12-21)25-13-14-5-3-2-4-6-14/h2-6,9-10,21H,7-8,11-13H2,1H3,(H,19,23).
What are the key properties of 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 346.38 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16853659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).