2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide

C17H16N2O4 — CID 51072486

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NOCc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-16(18-23-11-13-6-2-1-3-7-13)10-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20)
InChIKeyVZKZLKZGMRNZEF-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.66
Rot. Bonds5

About 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide

2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide (PubChem CID 51072486) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
PubChem CID51072486
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NOCc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-16(18-23-11-13-6-2-1-3-7-13)10-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20)
InChIKeyVZKZLKZGMRNZEF-UHFFFAOYSA-N
XLogP1.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
2-(2,5-dioxoimidazolidin-1-yl)-N-phenylmethoxyacetamide
CID 60668288
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
1-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538712
4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid
CID 119203630
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide (CID 51072486) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide is O=C(CN1C(=O)COc2ccccc21)NOCc1ccccc1.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide?
The InChIKey is VZKZLKZGMRNZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(18-23-11-13-6-2-1-3-7-13)10-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide has a molecular weight of 312.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 51072486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).