N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

C18H18N2O4 — CID 46286910

IUPACN-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H18N2O4/c1-11-4-6-15(23-3)13(8-11)19-18(22)12-5-7-16-14(9-12)20(2)17(21)10-24-16/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyIXPOJKURUNSPNC-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.61
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide

N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 46286910) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID46286910
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H18N2O4/c1-11-4-6-15(23-3)13(8-11)19-18(22)12-5-7-16-14(9-12)20(2)17(21)10-24-16/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyIXPOJKURUNSPNC-UHFFFAOYSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 131934697
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
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
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110630325
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 46286910) is N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is IXPOJKURUNSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-4-6-15(23-3)13(8-11)19-18(22)12-5-7-16-14(9-12)20(2)17(21)10-24-16/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.61, 3 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)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 46286910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).