N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide

C15H15NO4 — CID 3780844

IUPACN-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)O
InChIInChI=1S/C15H15NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-9,17H,1-2H3,(H,16,18)
InChIKeyGRNDEBXMZSNLCP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.25
Rot. Bonds3

About N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide

N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide (PubChem CID 3780844) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide
PubChem CID3780844
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)O
InChIInChI=1S/C15H15NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-9,17H,1-2H3,(H,16,18)
InChIKeyGRNDEBXMZSNLCP-UHFFFAOYSA-N
XLogP2.25
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide?
The IUPAC name of N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide (CID 3780844) is N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide.
What is the SMILES notation for N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide?
The canonical SMILES for N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide is Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)O.
What is the InChIKey of N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide?
The InChIKey is GRNDEBXMZSNLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide?
N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide has a molecular weight of 273.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxyethyl)-6-methyl-2-oxopyran-3-yl]benzamide is sourced from PubChem (CID 3780844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).