2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide

C19H20N2O4 — CID 6488708

IUPAC2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C)cc1
InChIInChI=1S/C19H20N2O4/c1-13-3-5-14(6-4-13)10-21-16-8-7-15(20-18(22)11-24-2)9-17(16)25-12-19(21)23/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeySSMOEAIYCUAFEZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds5

About 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide

2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide (PubChem CID 6488708) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide
PubChem CID6488708
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C)cc1
InChIInChI=1S/C19H20N2O4/c1-13-3-5-14(6-4-13)10-21-16-8-7-15(20-18(22)11-24-2)9-17(16)25-12-19(21)23/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeySSMOEAIYCUAFEZ-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide (CID 6488708) is 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide is COCC(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide?
The InChIKey is SSMOEAIYCUAFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-3-5-14(6-4-13)10-21-16-8-7-15(20-18(22)11-24-2)9-17(16)25-12-19(21)23/h3-9H,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide?
2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]acetamide is sourced from PubChem (CID 6488708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).