N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide

C16H15NO4 — CID 1483056

IUPACN-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide
SMILESCC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C
InChIInChI=1S/C16H15NO4/c1-9-4-6-12(7-5-9)15(19)17-14-8-13(10(2)18)11(3)21-16(14)20/h4-8H,1-3H3,(H,17,19)
InChIKeyVPUNNNSJIMLUJZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.71
Rot. Bonds3

About N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide

N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide (PubChem CID 1483056) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide
PubChem CID1483056
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide
SMILESCC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C
InChIInChI=1S/C16H15NO4/c1-9-4-6-12(7-5-9)15(19)17-14-8-13(10(2)18)11(3)21-16(14)20/h4-8H,1-3H3,(H,17,19)
InChIKeyVPUNNNSJIMLUJZ-UHFFFAOYSA-N
XLogP2.71
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide?
The IUPAC name of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide (CID 1483056) is N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide is CC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C.
What is the InChIKey of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide?
The InChIKey is VPUNNNSJIMLUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-4-6-12(7-5-9)15(19)17-14-8-13(10(2)18)11(3)21-16(14)20/h4-8H,1-3H3,(H,17,19).
What are the key properties of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide?
N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-methylbenzamide is sourced from PubChem (CID 1483056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).