4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide

C16H17NO4 — CID 42226901

IUPAC4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C16H17NO4/c1-11(2)17-16(19)14-8-13(18)15(10-21-14)20-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H,17,19)
InChIKeyOMDWFNNFUAZWIS-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.36
Rot. Bonds5

About 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide

4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (PubChem CID 42226901) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.

Molecular Properties

Compound Name4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
PubChem CID42226901
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C16H17NO4/c1-11(2)17-16(19)14-8-13(18)15(10-21-14)20-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H,17,19)
InChIKeyOMDWFNNFUAZWIS-UHFFFAOYSA-N
XLogP2.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The IUPAC name of 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide (CID 42226901) is 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide.
What is the SMILES notation for 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The canonical SMILES for 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)co1.
What is the InChIKey of 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
The InChIKey is OMDWFNNFUAZWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11(2)17-16(19)14-8-13(18)15(10-21-14)20-9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H,17,19).
What are the key properties of 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide?
4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide is sourced from PubChem (CID 42226901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).