2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide

C17H16N2O3 — CID 18773522

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)CO2
InChIInChI=1S/C17H16N2O3/c1-12-7-8-15-14(9-12)19(17(21)11-22-15)10-16(20)18-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyXPMGHMYBYURTMV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.36
Rot. Bonds3

About 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide (PubChem CID 18773522) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
PubChem CID18773522
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)CO2
InChIInChI=1S/C17H16N2O3/c1-12-7-8-15-14(9-12)19(17(21)11-22-15)10-16(20)18-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyXPMGHMYBYURTMV-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18774340
N-(4-chloro-3-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18773554
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 41316268
ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 23410098
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
2-[6-(3,5-dimethylpyrazole-1-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-phenylacetamide
CID 43817257
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
CID 20914837
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-(3-methylphenyl)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695748
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide (CID 18773522) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide is Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
The InChIKey is XPMGHMYBYURTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-7-8-15-14(9-12)19(17(21)11-22-15)10-16(20)18-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide is sourced from PubChem (CID 18773522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).