2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide

C19H20N2O4 — CID 40947309

IUPAC2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
SMILESCCOCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2
InChIInChI=1S/C19H20N2O4/c1-3-21-15-7-5-6-8-17(15)25-16-10-9-13(11-14(16)19(21)23)20-18(22)12-24-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyCFGGTQAQVKOIAA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.43
Rot. Bonds5

About 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide

2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide (PubChem CID 40947309) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
PubChem CID40947309
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
SMILESCCOCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2
InChIInChI=1S/C19H20N2O4/c1-3-21-15-7-5-6-8-17(15)25-16-10-9-13(11-14(16)19(21)23)20-18(22)12-24-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyCFGGTQAQVKOIAA-UHFFFAOYSA-N
XLogP3.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide (CID 40947309) is 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide is CCOCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2.
What is the InChIKey of 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide?
The InChIKey is CFGGTQAQVKOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-21-15-7-5-6-8-17(15)25-16-10-9-13(11-14(16)19(21)23)20-18(22)12-24-4-2/h5-11H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide?
2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide is sourced from PubChem (CID 40947309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).