2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide

C19H20N2O5 — CID 84554768

IUPAC2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3C)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-21-15-7-5-13(9-17(15)26-11-19(21)23)20-18(22)8-12-4-6-14(24-2)10-16(12)25-3/h4-7,9-10H,8,11H2,1-3H3,(H,20,22)
InChIKeyDKSXFBLOHFPSPY-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.24
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide

2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide (PubChem CID 84554768) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide
PubChem CID84554768
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3C)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-21-15-7-5-13(9-17(15)26-11-19(21)23)20-18(22)8-12-4-6-14(24-2)10-16(12)25-3/h4-7,9-10H,8,11H2,1-3H3,(H,20,22)
InChIKeyDKSXFBLOHFPSPY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
2-(2,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 17457100
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24560978
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
tert-butyl N-[2-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)amino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84551855
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide (CID 84554768) is 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide?
The InChIKey is DKSXFBLOHFPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21-15-7-5-13(9-17(15)26-11-19(21)23)20-18(22)8-12-4-6-14(24-2)10-16(12)25-3/h4-7,9-10H,8,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide is sourced from PubChem (CID 84554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).