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

C21H25NO4 — CID 169411397

IUPAC4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-15-14-18(17-9-12-25-13-10-17)26-21(24)19(15)20(23)22-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,22,23)
InChIKeyJQXOJLILNQRBHI-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.20
Rot. Bonds6

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

4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 169411397) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID169411397
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-15-14-18(17-9-12-25-13-10-17)26-21(24)19(15)20(23)22-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,22,23)
InChIKeyJQXOJLILNQRBHI-UHFFFAOYSA-N
XLogP3.20
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide (CID 169411397) is 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NCCCc1ccccc1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is JQXOJLILNQRBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-14-18(17-9-12-25-13-10-17)26-21(24)19(15)20(23)22-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,22,23).
What are the key properties of 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide?
4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 169411397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).