N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C19H20N2O5 — CID 1455753

IUPACN-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1
InChIInChI=1S/C19H20N2O5/c1-12-4-6-17-15(8-12)21(19(23)11-26-17)10-18(22)20-14-9-13(24-2)5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyPYYCXLOXOCUVMG-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.38
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 1455753) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID1455753
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1
InChIInChI=1S/C19H20N2O5/c1-12-4-6-17-15(8-12)21(19(23)11-26-17)10-18(22)20-14-9-13(24-2)5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyPYYCXLOXOCUVMG-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 1455753) is N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(OC)c(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is PYYCXLOXOCUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-4-6-17-15(8-12)21(19(23)11-26-17)10-18(22)20-14-9-13(24-2)5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 1455753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).