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

C19H20N2O5 — CID 647875

IUPACN-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-12-19(23)21(15-6-4-5-7-16(15)26-12)11-18(22)20-14-9-8-13(24-2)10-17(14)25-3/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyLSWMLXNDWUHWEC-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.46
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 647875) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID647875
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-12-19(23)21(15-6-4-5-7-16(15)26-12)11-18(22)20-14-9-8-13(24-2)10-17(14)25-3/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyLSWMLXNDWUHWEC-UHFFFAOYSA-N
XLogP2.46
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)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-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 647875) is N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is LSWMLXNDWUHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-19(23)21(15-6-4-5-7-16(15)26-12)11-18(22)20-14-9-8-13(24-2)10-17(14)25-3/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 647875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).