N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide

C22H19NO3 — CID 118706334

IUPACN-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-21(16-7-2-1-3-8-16)23-19-12-13-20(26-22(19)25)18-11-10-15-6-4-5-9-17(15)14-18/h1-3,7-8,10-14H,4-6,9H2,(H,23,24)
InChIKeyQCIUKBRMFPOUOI-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.44
Rot. Bonds3

About N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide

N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide (PubChem CID 118706334) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide
PubChem CID118706334
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O)c1ccccc1
InChIInChI=1S/C22H19NO3/c24-21(16-7-2-1-3-8-16)23-19-12-13-20(26-22(19)25)18-11-10-15-6-4-5-9-17(15)14-18/h1-3,7-8,10-14H,4-6,9H2,(H,23,24)
InChIKeyQCIUKBRMFPOUOI-UHFFFAOYSA-N
XLogP4.44
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide?
The IUPAC name of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide (CID 118706334) is N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide.
What is the SMILES notation for N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide?
The canonical SMILES for N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide is O=C(Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide?
The InChIKey is QCIUKBRMFPOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(16-7-2-1-3-8-16)23-19-12-13-20(26-22(19)25)18-11-10-15-6-4-5-9-17(15)14-18/h1-3,7-8,10-14H,4-6,9H2,(H,23,24).
What are the key properties of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide?
N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]benzamide is sourced from PubChem (CID 118706334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).