N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C11H12N2O3 — CID 116827630

IUPACN,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C11H12N2O3/c1-6-10(14)13-8-5-7(11(15)12-2)3-4-9(8)16-6/h3-6H,1-2H3,(H,12,15)(H,13,14)
InChIKeyDVHCCIWREUPLCK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.77
Rot. Bonds1

About N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 116827630) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID116827630
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C11H12N2O3/c1-6-10(14)13-8-5-7(11(15)12-2)3-4-9(8)16-6/h3-6H,1-2H3,(H,12,15)(H,13,14)
InChIKeyDVHCCIWREUPLCK-UHFFFAOYSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 110683130
2-methyl-3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-carboxamide
CID 110683012
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
6-[2-(ethylamino)acetyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498658
2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663
2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
CID 110683129
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 116827630) is N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CNC(=O)c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is DVHCCIWREUPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-10(14)13-8-5-7(11(15)12-2)3-4-9(8)16-6/h3-6H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 116827630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).