N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide

C20H22N2O4 — CID 16826905

IUPACN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
SMILESCCN1CCOc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2C1=O
InChIInChI=1S/C20H22N2O4/c1-3-22-10-11-26-18-9-6-15(13-17(18)20(22)24)21-19(23)12-14-4-7-16(25-2)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,21,23)
InChIKeyLMXHIUKKSVKBCY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.73
Rot. Bonds5

About N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide

N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 16826905) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID16826905
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
SMILESCCN1CCOc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2C1=O
InChIInChI=1S/C20H22N2O4/c1-3-22-10-11-26-18-9-6-15(13-17(18)20(22)24)21-19(23)12-14-4-7-16(25-2)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,21,23)
InChIKeyLMXHIUKKSVKBCY-UHFFFAOYSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
CID 16826909
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826908
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-3,4-difluorobenzamide
CID 40958043
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
CID 18571570
N-[4-[(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)sulfamoyl]-3-methylphenyl]propanamide
CID 40889500
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide
CID 18571551
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(3-methylphenyl)acetamide
CID 40957969
1-(4-chlorophenyl)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)methanesulfonamide
CID 40889517
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896
ethane;4-ethyl-7-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 171523267
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(4-methoxyphenyl)acetyl]amino]thiourea
CID 17375546

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide (CID 16826905) is N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide is CCN1CCOc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2C1=O.
What is the InChIKey of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is LMXHIUKKSVKBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-22-10-11-26-18-9-6-15(13-17(18)20(22)24)21-19(23)12-14-4-7-16(25-2)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide?
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16826905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).