2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide

C16H17NO3 — CID 660877

IUPAC2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-10-14(18)20-12(2)15(11)16(19)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyZLZBCBZMYQOPJH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.23
Rot. Bonds4

About 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide (PubChem CID 660877) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide
PubChem CID660877
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-10-14(18)20-12(2)15(11)16(19)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyZLZBCBZMYQOPJH-UHFFFAOYSA-N
XLogP2.23
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide (CID 660877) is 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide?
The InChIKey is ZLZBCBZMYQOPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-10-14(18)20-12(2)15(11)16(19)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(2-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 660877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).