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

C19H20N2O4 — CID 1455749

IUPACN-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)COc2ccc(C)cc21
InChIInChI=1S/C19H20N2O4/c1-12-4-6-16(24-3)14(8-12)20-18(22)10-21-15-9-13(2)5-7-17(15)25-11-19(21)23/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyHBOIPPMHVXYCLO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.68
Rot. Bonds4

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

N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 1455749) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID1455749
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)COc2ccc(C)cc21
InChIInChI=1S/C19H20N2O4/c1-12-4-6-16(24-3)14(8-12)20-18(22)10-21-15-9-13(2)5-7-17(15)25-11-19(21)23/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyHBOIPPMHVXYCLO-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethoxy-2'-ethyloxanilide
CID 90303
AC-260584
CID 9928284
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 1455749) is N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(C)cc1NC(=O)CN1C(=O)COc2ccc(C)cc21.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is HBOIPPMHVXYCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-4-6-16(24-3)14(8-12)20-18(22)10-21-15-9-13(2)5-7-17(15)25-11-19(21)23/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 1455749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).