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

C15H13NO4 — CID 677972

IUPACN-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide
SMILESCC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C
InChIInChI=1S/C15H13NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
InChIKeyNLYKJMSLWBGFEG-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.40
Rot. Bonds3

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

N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide (PubChem CID 677972) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide
PubChem CID677972
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide
SMILESCC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C
InChIInChI=1S/C15H13NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
InChIKeyNLYKJMSLWBGFEG-UHFFFAOYSA-N
XLogP2.40
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5338179
2-Propenoic acid, 2-benzoylamino-3-phenyl-, ethyl ester
CID 5369686
methyl (2E,4E)-5-phenyl-2-[(phenylcarbonyl)amino]penta-2,4-dienoate
CID 5719594
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide
CID 1475731
N-(5-Benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-chlorobenzamide
CID 1483052
N-(2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-methylbenzenecarboxamide
CID 1483057
2-Propyn-1-yl (benzoylamino)(cyclohexylidene)acetate
CID 2282522
Benzamide, N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-
CID 2737848
Ethyl 3-methyl-2-(phenylformamido)but-2-enoate
CID 9550229
2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester
CID 657545
Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-
CID 3822112
Methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate
CID 641183

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide?
The IUPAC name of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide (CID 677972) is N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide.
What is the SMILES notation for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide?
The canonical SMILES for N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide is CC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C.
What is the InChIKey of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide?
The InChIKey is NLYKJMSLWBGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide?
N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamide has a molecular weight of 271.27 g/mol, XLogP of 2.40, 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)benzamide is sourced from PubChem (CID 677972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).