5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide

C16H17NO4 — CID 27378221

IUPAC5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(C(C)C)cc2)cc1=O
InChIInChI=1S/C16H17NO4/c1-10(2)11-4-6-12(7-5-11)17-16(19)14-8-13(18)15(20-3)9-21-14/h4-10H,1-3H3,(H,17,19)
InChIKeyGBDCGJOREOMAOX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.02
Rot. Bonds4

About 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide

5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide (PubChem CID 27378221) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide
PubChem CID27378221
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(C(C)C)cc2)cc1=O
InChIInChI=1S/C16H17NO4/c1-10(2)11-4-6-12(7-5-11)17-16(19)14-8-13(18)15(20-3)9-21-14/h4-10H,1-3H3,(H,17,19)
InChIKeyGBDCGJOREOMAOX-UHFFFAOYSA-N
XLogP3.02
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide (CID 27378221) is 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide is COc1coc(C(=O)Nc2ccc(C(C)C)cc2)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide?
The InChIKey is GBDCGJOREOMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(2)11-4-6-12(7-5-11)17-16(19)14-8-13(18)15(20-3)9-21-14/h4-10H,1-3H3,(H,17,19).
What are the key properties of 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide?
5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-(4-propan-2-ylphenyl)pyran-2-carboxamide is sourced from PubChem (CID 27378221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).