2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide

C15H18N2O4 — CID 82022125

IUPAC2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCC(=O)c1ccc2c(c1)N(CC(N)=O)C(=O)C(C(C)C)O2
InChIInChI=1S/C15H18N2O4/c1-8(2)14-15(20)17(7-13(16)19)11-6-10(9(3)18)4-5-12(11)21-14/h4-6,8,14H,7H2,1-3H3,(H2,16,19)
InChIKeyLHIKFUYDJCWZRX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.12
Rot. Bonds4

About 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide

2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (PubChem CID 82022125) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
PubChem CID82022125
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCC(=O)c1ccc2c(c1)N(CC(N)=O)C(=O)C(C(C)C)O2
InChIInChI=1S/C15H18N2O4/c1-8(2)14-15(20)17(7-13(16)19)11-6-10(9(3)18)4-5-12(11)21-14/h4-6,8,14H,7H2,1-3H3,(H2,16,19)
InChIKeyLHIKFUYDJCWZRX-UHFFFAOYSA-N
XLogP1.12
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 82022094
6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82339635
6-propanoyl-2,4-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82022132
4-(2-aminoethyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142319
4-(4-aminobutyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142447
N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 43816330
2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82028591
2-(6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetonitrile
CID 82019497
4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82143210
2-[6-(1-aminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82025884
N-(furan-2-ylmethyl)-2-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide
CID 7437525
6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 11658613

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (CID 82022125) is 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is CC(=O)c1ccc2c(c1)N(CC(N)=O)C(=O)C(C(C)C)O2.
What is the InChIKey of 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is LHIKFUYDJCWZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8(2)14-15(20)17(7-13(16)19)11-6-10(9(3)18)4-5-12(11)21-14/h4-6,8,14H,7H2,1-3H3,(H2,16,19).
What are the key properties of 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 82022125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).