2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide

C26H22N2O5 — CID 134716939

IUPAC2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide
SMILESCc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NC3CCc4ccccc4NC3=O)c2o1
InChIInChI=1S/C26H22N2O5/c1-15-13-21(29)25-24(32-15)18(23(33-25)17-8-3-2-4-9-17)14-22(30)27-20-12-11-16-7-5-6-10-19(16)28-26(20)31/h2-10,13,20H,11-12,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyCLCOBNRGHHXYSC-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.97
Rot. Bonds4

About 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide

2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide (PubChem CID 134716939) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide
PubChem CID134716939
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide
SMILESCc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NC3CCc4ccccc4NC3=O)c2o1
InChIInChI=1S/C26H22N2O5/c1-15-13-21(29)25-24(32-15)18(23(33-25)17-8-3-2-4-9-17)14-22(30)27-20-12-11-16-7-5-6-10-19(16)28-26(20)31/h2-10,13,20H,11-12,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyCLCOBNRGHHXYSC-UHFFFAOYSA-N
XLogP3.97
TPSA101.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide (CID 134716939) is 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide is Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NC3CCc4ccccc4NC3=O)c2o1.
What is the InChIKey of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide?
The InChIKey is CLCOBNRGHHXYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-15-13-21(29)25-24(32-15)18(23(33-25)17-8-3-2-4-9-17)14-22(30)27-20-12-11-16-7-5-6-10-19(16)28-26(20)31/h2-10,13,20H,11-12,14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide?
2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide has a molecular weight of 442.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-2-phenylfuro[3,2-b]pyran-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetamide is sourced from PubChem (CID 134716939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).