2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one

C12H14N2O3 — CID 82496236

IUPAC2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
SMILESCNCC(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C12H14N2O3/c1-7-12(16)14-9-5-8(10(15)6-13-2)3-4-11(9)17-7/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyWGDFFXHJJQAEDH-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.81
Rot. Bonds3

About 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one

2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one (PubChem CID 82496236) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
PubChem CID82496236
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
SMILESCNCC(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C12H14N2O3/c1-7-12(16)14-9-5-8(10(15)6-13-2)3-4-11(9)17-7/h3-5,7,13H,6H2,1-2H3,(H,14,16)
InChIKeyWGDFFXHJJQAEDH-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(ethylamino)acetyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498658
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
2-methyl-6-(3,3,3-trifluoropropanoyl)-4H-1,4-benzoxazin-3-one
CID 43340891
4-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-oxobutanoate
CID 78464300
methyl 5-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxopentanoate
CID 82347021
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-carboxamide
CID 110683012
2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one (CID 82496236) is 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one is CNCC(=O)c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is WGDFFXHJJQAEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-12(16)14-9-5-8(10(15)6-13-2)3-4-11(9)17-7/h3-5,7,13H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 234.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82496236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).