2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide

C13H16N2O3 — CID 110701815

IUPAC2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OC(C)C(=O)N2
InChIInChI=1S/C13H16N2O3/c1-7(2)14-13(17)9-5-4-6-10-11(9)18-8(3)12(16)15-10/h4-8H,1-3H3,(H,14,17)(H,15,16)
InChIKeyKWUPNZATLWBCRB-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide

2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701815) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701815
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OC(C)C(=O)N2
InChIInChI=1S/C13H16N2O3/c1-7(2)14-13(17)9-5-4-6-10-11(9)18-8(3)12(16)15-10/h4-8H,1-3H3,(H,14,17)(H,15,16)
InChIKeyKWUPNZATLWBCRB-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide (CID 110701815) is 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide is CC(C)NC(=O)c1cccc2c1OC(C)C(=O)N2.
What is the InChIKey of 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is KWUPNZATLWBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7(2)14-13(17)9-5-4-6-10-11(9)18-8(3)12(16)15-10/h4-8H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).