2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C16H16N2O4 — CID 78878322

IUPAC2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(C=O)cc2)ccn1
InChIInChI=1S/C16H16N2O4/c1-21-16-8-13(6-7-17-16)9-18-15(20)11-22-14-4-2-12(10-19)3-5-14/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKeyKQBIDUMBDPJTEP-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.60
Rot. Bonds7

About 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 78878322) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID78878322
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(C=O)cc2)ccn1
InChIInChI=1S/C16H16N2O4/c1-21-16-8-13(6-7-17-16)9-18-15(20)11-22-14-4-2-12(10-19)3-5-14/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKeyKQBIDUMBDPJTEP-UHFFFAOYSA-N
XLogP1.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
2-(4-benzoylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167317
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 18167335
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 78878322) is 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is COc1cc(CNC(=O)COc2ccc(C=O)cc2)ccn1.
What is the InChIKey of 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is KQBIDUMBDPJTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-16-8-13(6-7-17-16)9-18-15(20)11-22-14-4-2-12(10-19)3-5-14/h2-8,10H,9,11H2,1H3,(H,18,20).
What are the key properties of 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 300.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 78878322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).