2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C12H14N2O3 — CID 53016064

IUPAC2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)OC(C)C(=O)N2CC(N)=O
InChIInChI=1S/C12H14N2O3/c1-7-3-4-9-10(5-7)17-8(2)12(16)14(9)6-11(13)15/h3-5,8H,6H2,1-2H3,(H2,13,15)
InChIKeyQDALOZQXRHUANJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.59
Rot. Bonds2

About 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 53016064) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID53016064
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)OC(C)C(=O)N2CC(N)=O
InChIInChI=1S/C12H14N2O3/c1-7-3-4-9-10(5-7)17-8(2)12(16)14(9)6-11(13)15/h3-5,8H,6H2,1-2H3,(H2,13,15)
InChIKeyQDALOZQXRHUANJ-UHFFFAOYSA-N
XLogP0.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 94063588
2-[7-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82338407
4-(2-amino-2-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82057830
2-[4-(2-amino-2-oxoethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid
CID 82025780
4-[[4-(2-amino-2-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoic acid
CID 82035026
ethyl 2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 7242054
2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N,N-dimethylacetamide
CID 95051568
(2R)-2,6-dimethyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 1431536
2-[6-(1-aminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82025884
2-methyl-4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3227578
N-(2-aminoethyl)-2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82032385
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide
CID 62988767

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 53016064) is 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc2c(c1)OC(C)C(=O)N2CC(N)=O.
What is the InChIKey of 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is QDALOZQXRHUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-3-4-9-10(5-7)17-8(2)12(16)14(9)6-11(13)15/h3-5,8H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 53016064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).