3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide

C24H22N2O3 — CID 71447655

IUPAC3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)c1
InChIInChI=1S/C24H22N2O3/c25-24(28)20-8-4-7-18(13-20)19-9-10-22-21(14-19)15-29-16-23(27)26(22)12-11-17-5-2-1-3-6-17/h1-10,13-14H,11-12,15-16H2,(H2,25,28)
InChIKeyJVGKWJWHWMDLOW-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.56
Rot. Bonds5

About 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide

3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide (PubChem CID 71447655) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide.

Molecular Properties

Compound Name3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide
PubChem CID71447655
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)c1
InChIInChI=1S/C24H22N2O3/c25-24(28)20-8-4-7-18(13-20)19-9-10-22-21(14-19)15-29-16-23(27)26(22)12-11-17-5-2-1-3-6-17/h1-10,13-14H,11-12,15-16H2,(H2,25,28)
InChIKeyJVGKWJWHWMDLOW-UHFFFAOYSA-N
XLogP3.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide?
The IUPAC name of 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide (CID 71447655) is 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide.
What is the SMILES notation for 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide?
The canonical SMILES for 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide is NC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CCc2ccccc2)c1.
What is the InChIKey of 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide?
The InChIKey is JVGKWJWHWMDLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c25-24(28)20-8-4-7-18(13-20)19-9-10-22-21(14-19)15-29-16-23(27)26(22)12-11-17-5-2-1-3-6-17/h1-10,13-14H,11-12,15-16H2,(H2,25,28).
What are the key properties of 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide?
3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-1-(2-phenylethyl)-5H-4,1-benzoxazepin-7-yl]benzamide is sourced from PubChem (CID 71447655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).