4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide

C20H17NO3 — CID 1484456

IUPAC4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C20H17NO3/c1-13-8-10-16(11-9-13)19(22)21-18-14(2)12-17(24-20(18)23)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22)
InChIKeyTWUDZLOPXCZNCA-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.18
Rot. Bonds3

About 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide

4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide (PubChem CID 1484456) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide
PubChem CID1484456
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(C)cc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C20H17NO3/c1-13-8-10-16(11-9-13)19(22)21-18-14(2)12-17(24-20(18)23)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22)
InChIKeyTWUDZLOPXCZNCA-UHFFFAOYSA-N
XLogP4.18
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide (CID 1484456) is 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide is Cc1ccc(C(=O)Nc2c(C)cc(-c3ccccc3)oc2=O)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide?
The InChIKey is TWUDZLOPXCZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-8-10-16(11-9-13)19(22)21-18-14(2)12-17(24-20(18)23)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22).
What are the key properties of 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide?
4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-oxo-6-phenylpyran-3-yl)benzamide is sourced from PubChem (CID 1484456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).