4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide

C20H23NO4 — CID 169420677

IUPAC4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-13-17(16-10-6-12-24-16)25-20(23)18(14)19(22)21-11-5-9-15-7-3-2-4-8-15/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,21,22)
InChIKeyWWRWRRZAQOLFFA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.16
Rot. Bonds6

About 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide

4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 169420677) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID169420677
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-13-17(16-10-6-12-24-16)25-20(23)18(14)19(22)21-11-5-9-15-7-3-2-4-8-15/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,21,22)
InChIKeyWWRWRRZAQOLFFA-UHFFFAOYSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide (CID 169420677) is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)NCCCc1ccccc1.
What is the InChIKey of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is WWRWRRZAQOLFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-13-17(16-10-6-12-24-16)25-20(23)18(14)19(22)21-11-5-9-15-7-3-2-4-8-15/h2-4,7-8,13,16H,5-6,9-12H2,1H3,(H,21,22).
What are the key properties of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide?
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 169420677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).