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

C13H16N2O3 — CID 42889663

IUPAC2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCCC(C)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H16N2O3/c1-3-8(2)13(17)14-9-4-5-11-10(6-9)15-12(16)7-18-11/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLVMKFVMSABFWRQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.00
Rot. Bonds3

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

2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 42889663) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID42889663
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCCC(C)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H16N2O3/c1-3-8(2)13(17)14-9-4-5-11-10(6-9)15-12(16)7-18-11/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLVMKFVMSABFWRQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 42889663) is 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is CCC(C)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is LVMKFVMSABFWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-8(2)13(17)14-9-4-5-11-10(6-9)15-12(16)7-18-11/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 248.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 42889663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).