N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide

C16H18N4O4 — CID 122642933

IUPACN-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2cnc3c2COOCN3C)cc1
InChIInChI=1S/C16H18N4O4/c1-11(21)12-3-5-13(6-4-12)18-15(22)7-20-9-17-16-14(20)8-23-24-10-19(16)2/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)
InChIKeyDFXXCWANGMAYLL-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.58
Rot. Bonds4

About N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide

N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide (PubChem CID 122642933) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide
PubChem CID122642933
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2cnc3c2COOCN3C)cc1
InChIInChI=1S/C16H18N4O4/c1-11(21)12-3-5-13(6-4-12)18-15(22)7-20-9-17-16-14(20)8-23-24-10-19(16)2/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)
InChIKeyDFXXCWANGMAYLL-UHFFFAOYSA-N
XLogP1.58
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 171130359
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
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N-(4-acetylphenyl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111137
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N-(4-acetylphenyl)-2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98535911
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CID 24588538
N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 46396597
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
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N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide (CID 122642933) is N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2cnc3c2COOCN3C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide?
The InChIKey is DFXXCWANGMAYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-11(21)12-3-5-13(6-4-12)18-15(22)7-20-9-17-16-14(20)8-23-24-10-19(16)2/h3-6,9H,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide?
N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methyl-5,8-dihydroimidazo[4,5-e][1,2,4]dioxazepin-1-yl)acetamide is sourced from PubChem (CID 122642933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).