2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide

C19H20N2O3 — CID 650231

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-14-19(23)21(16-9-5-6-10-17(16)24-14)13-18(22)20-12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyLEOHWYFNZITAAY-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 650231) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID650231
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-14-19(23)21(16-9-5-6-10-17(16)24-14)13-18(22)20-12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyLEOHWYFNZITAAY-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide (CID 650231) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide is CC1Oc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LEOHWYFNZITAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-19(23)21(16-9-5-6-10-17(16)24-14)13-18(22)20-12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,22).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 650231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).