N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide

C13H16N2O3 — CID 78843937

IUPACN-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H16N2O3/c1-8(2)15(3)13(17)9-4-5-11-10(6-9)14-12(16)7-18-11/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyLGMVWHGJTFPKAX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide

N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 78843937) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
PubChem CID78843937
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H16N2O3/c1-8(2)15(3)13(17)9-4-5-11-10(6-9)14-12(16)7-18-11/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyLGMVWHGJTFPKAX-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylsulfonylpropanoyl)-4H-1,4-benzoxazin-3-one
CID 104518030
N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55408260
3-[methyl-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoic acid
CID 60989417
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
6-[3-[di(propan-2-yl)amino]propanoyl]-4H-1,4-benzoxazin-3-one
CID 59028425
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 51101453
6-(2-cyclopropylpropanoyl)-4H-1,4-benzoxazin-3-one
CID 83154072
6-(2,2-dichloroacetyl)-4H-1,4-benzoxazin-3-one
CID 116827168
N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 118138222
6-(2-bromo-2-chloroacetyl)-4H-1,4-benzoxazin-3-one
CID 116863892
2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115152304
4-methyl-3-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)pentanoic acid
CID 70059918

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide (CID 78843937) is N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide is CC(C)N(C)C(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is LGMVWHGJTFPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)15(3)13(17)9-4-5-11-10(6-9)14-12(16)7-18-11/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide?
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 78843937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).