N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide

C21H17NO5 — CID 1473622

IUPACN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)c3ccccc3)c(C)oc2=O)cc1
InChIInChI=1S/C21H17NO5/c1-13-17(19(23)14-6-4-3-5-7-14)12-18(21(25)27-13)22-20(24)15-8-10-16(26-2)11-9-15/h3-12H,1-2H3,(H,22,24)
InChIKeyQIJKVQQIGWSIRT-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.44
Rot. Bonds5

About N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide

N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide (PubChem CID 1473622) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide
PubChem CID1473622
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC NameN-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)c3ccccc3)c(C)oc2=O)cc1
InChIInChI=1S/C21H17NO5/c1-13-17(19(23)14-6-4-3-5-7-14)12-18(21(25)27-13)22-20(24)15-8-10-16(26-2)11-9-15/h3-12H,1-2H3,(H,22,24)
InChIKeyQIJKVQQIGWSIRT-UHFFFAOYSA-N
XLogP3.44
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide (CID 1473622) is N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C(=O)c3ccccc3)c(C)oc2=O)cc1.
What is the InChIKey of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide?
The InChIKey is QIJKVQQIGWSIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-13-17(19(23)14-6-4-3-5-7-14)12-18(21(25)27-13)22-20(24)15-8-10-16(26-2)11-9-15/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide?
N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide has a molecular weight of 363.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-6-methyl-2-oxopyran-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 1473622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).