N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

C18H16N2O4 — CID 110763910

IUPACN-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1
InChIInChI=1S/C18H16N2O4/c1-11(21)12-3-6-14(7-4-12)19-18(23)13-5-8-16-15(9-13)20(2)17(22)10-24-16/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyRFTYUABKUZEHMN-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.50
Rot. Bonds3

About N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 110763910) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID110763910
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1
InChIInChI=1S/C18H16N2O4/c1-11(21)12-3-6-14(7-4-12)19-18(23)13-5-8-16-15(9-13)20(2)17(22)10-24-16/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyRFTYUABKUZEHMN-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
N-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131934697
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
4-methyl-N-[4-(oxan-2-ylmethoxy)phenyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131916676
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 46286910
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl cyanide
CID 116918990
4-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763836

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 110763910) is N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is RFTYUABKUZEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)12-3-6-14(7-4-12)19-18(23)13-5-8-16-15(9-13)20(2)17(22)10-24-16/h3-9H,10H2,1-2H3,(H,19,23).
What are the key properties of N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110763910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).