4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide

C19H20N2O3 — CID 110701754

IUPAC4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc3c2OCC(=O)N3C)cc1
InChIInChI=1S/C19H20N2O3/c1-12(2)13-7-9-14(10-8-13)20-19(23)15-5-4-6-16-18(15)24-11-17(22)21(16)3/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyCYXIVUVRZWFWLZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide

4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide (PubChem CID 110701754) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
PubChem CID110701754
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc3c2OCC(=O)N3C)cc1
InChIInChI=1S/C19H20N2O3/c1-12(2)13-7-9-14(10-8-13)20-19(23)15-5-4-6-16-18(15)24-11-17(22)21(16)3/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyCYXIVUVRZWFWLZ-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701762
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701727
N-cyclohexyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701671
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
CID 110630382
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
9-acetyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230846
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide (CID 110701754) is 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide is CC(C)c1ccc(NC(=O)c2cccc3c2OCC(=O)N3C)cc1.
What is the InChIKey of 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide?
The InChIKey is CYXIVUVRZWFWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)13-7-9-14(10-8-13)20-19(23)15-5-4-6-16-18(15)24-11-17(22)21(16)3/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide?
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).