2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide

C21H22N2O5 — CID 167818634

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
SMILESO=C(NCCN1Cc2ccccc2OCC1=O)C(O)c1cccc2c1OCC2
InChIInChI=1S/C21H22N2O5/c24-18-13-28-17-7-2-1-4-15(17)12-23(18)10-9-22-21(26)19(25)16-6-3-5-14-8-11-27-20(14)16/h1-7,19,25H,8-13H2,(H,22,26)
InChIKeyDEEIKKBZBOGBNC-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.19
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide

2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide (PubChem CID 167818634) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
PubChem CID167818634
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
SMILESO=C(NCCN1Cc2ccccc2OCC1=O)C(O)c1cccc2c1OCC2
InChIInChI=1S/C21H22N2O5/c24-18-13-28-17-7-2-1-4-15(17)12-23(18)10-9-22-21(26)19(25)16-6-3-5-14-8-11-27-20(14)16/h1-7,19,25H,8-13H2,(H,22,26)
InChIKeyDEEIKKBZBOGBNC-UHFFFAOYSA-N
XLogP1.19
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide (CID 167818634) is 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide is O=C(NCCN1Cc2ccccc2OCC1=O)C(O)c1cccc2c1OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
The InChIKey is DEEIKKBZBOGBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-18-13-28-17-7-2-1-4-15(17)12-23(18)10-9-22-21(26)19(25)16-6-3-5-14-8-11-27-20(14)16/h1-7,19,25H,8-13H2,(H,22,26).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide is sourced from PubChem (CID 167818634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).