2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide

C22H21NO4 — CID 54735929

IUPAC2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide
SMILESCCC(c1ccccc1)c1c(O)cc(CC(=O)Nc2ccccc2)oc1=O
InChIInChI=1S/C22H21NO4/c1-2-18(15-9-5-3-6-10-15)21-19(24)13-17(27-22(21)26)14-20(25)23-16-11-7-4-8-12-16/h3-13,18,24H,2,14H2,1H3,(H,23,25)
InChIKeyWORKAMZIUAECJD-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide

2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide (PubChem CID 54735929) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide
PubChem CID54735929
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide
SMILESCCC(c1ccccc1)c1c(O)cc(CC(=O)Nc2ccccc2)oc1=O
InChIInChI=1S/C22H21NO4/c1-2-18(15-9-5-3-6-10-15)21-19(24)13-17(27-22(21)26)14-20(25)23-16-11-7-4-8-12-16/h3-13,18,24H,2,14H2,1H3,(H,23,25)
InChIKeyWORKAMZIUAECJD-UHFFFAOYSA-N
XLogP4.07
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide (CID 54735929) is 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide is CCC(c1ccccc1)c1c(O)cc(CC(=O)Nc2ccccc2)oc1=O.
What is the InChIKey of 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide?
The InChIKey is WORKAMZIUAECJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-2-18(15-9-5-3-6-10-15)21-19(24)13-17(27-22(21)26)14-20(25)23-16-11-7-4-8-12-16/h3-13,18,24H,2,14H2,1H3,(H,23,25).
What are the key properties of 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide?
2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide has a molecular weight of 363.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-6-oxo-5-(1-phenylpropyl)pyran-2-yl]-N-phenylacetamide is sourced from PubChem (CID 54735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).