N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C17H16N2O3 — CID 110699718

IUPACN-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc3c2NC(=O)CO3)c1
InChIInChI=1S/C17H16N2O3/c1-10-6-7-11(2)13(8-10)18-17(21)12-4-3-5-14-16(12)19-15(20)9-22-14/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFLIJLGSWQKEXFO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.89
Rot. Bonds2

About N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 110699718) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID110699718
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc3c2NC(=O)CO3)c1
InChIInChI=1S/C17H16N2O3/c1-10-6-7-11(2)13(8-10)18-17(21)12-4-3-5-14-16(12)19-15(20)9-22-14/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFLIJLGSWQKEXFO-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699703
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699638
4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 110713165
3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 154768927
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729632
N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 167985959
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
N-(2,5-dimethylphenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71852752
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50944671

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 110699718) is N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is Cc1ccc(C)c(NC(=O)c2cccc3c2NC(=O)CO3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is FLIJLGSWQKEXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-6-7-11(2)13(8-10)18-17(21)12-4-3-5-14-16(12)19-15(20)9-22-14/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 110699718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).