N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide

C18H18N2O3 — CID 110713334

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1
InChIInChI=1S/C18H18N2O3/c1-12-6-8-13(9-7-12)10-16(21)19-14-4-3-5-15-18(14)20(2)17(22)11-23-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyGFWUVCMNTRYYOI-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds3

About N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide (PubChem CID 110713334) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide
PubChem CID110713334
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1
InChIInChI=1S/C18H18N2O3/c1-12-6-8-13(9-7-12)10-16(21)19-14-4-3-5-15-18(14)20(2)17(22)11-23-15/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyGFWUVCMNTRYYOI-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide 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 N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide (CID 110713334) is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is GFWUVCMNTRYYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-6-8-13(9-7-12)10-16(21)19-14-4-3-5-15-18(14)20(2)17(22)11-23-15/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 110713334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).