2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide

C14H19NO4 — CID 94817277

IUPAC2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
SMILESCOc1ccc(CC(=O)NO[C@@H]2CCCCO2)cc1
InChIInChI=1S/C14H19NO4/c1-17-12-7-5-11(6-8-12)10-13(16)15-19-14-4-2-3-9-18-14/h5-8,14H,2-4,9-10H2,1H3,(H,15,16)/t14-/m1/s1
InChIKeyHMLSBUPNVCFPRQ-CQSZACIVSA-N
MW265.31 g/mol
LogP1.81
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide

2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide (PubChem CID 94817277) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
PubChem CID94817277
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
SMILESCOc1ccc(CC(=O)NO[C@@H]2CCCCO2)cc1
InChIInChI=1S/C14H19NO4/c1-17-12-7-5-11(6-8-12)10-13(16)15-19-14-4-2-3-9-18-14/h5-8,14H,2-4,9-10H2,1H3,(H,15,16)/t14-/m1/s1
InChIKeyHMLSBUPNVCFPRQ-CQSZACIVSA-N
XLogP1.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide (CID 94817277) is 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide is COc1ccc(CC(=O)NO[C@@H]2CCCCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide?
The InChIKey is HMLSBUPNVCFPRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-7-5-11(6-8-12)10-13(16)15-19-14-4-2-3-9-18-14/h5-8,14H,2-4,9-10H2,1H3,(H,15,16)/t14-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide?
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide has a molecular weight of 265.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide is sourced from PubChem (CID 94817277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).