N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C19H20N2O3 — CID 110699731

IUPACN-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccc3c2NC(=O)CO3)cc1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)12-7-9-13(10-8-12)20-18(23)14-5-4-6-15-17(14)21-16(22)11-24-15/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyMFPYPGDYGGJKGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.57
Rot. Bonds2

About N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 110699731) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID110699731
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccc3c2NC(=O)CO3)cc1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)12-7-9-13(10-8-12)20-18(23)14-5-4-6-15-17(14)21-16(22)11-24-15/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyMFPYPGDYGGJKGV-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazine-5-carboxamide
CID 110699758
4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 110713165
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699718
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
CID 110699795
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699703
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699638
N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699743
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
CID 110713199
N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 167985959
N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699663

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 110699731) is N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cccc3c2NC(=O)CO3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is MFPYPGDYGGJKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,3)12-7-9-13(10-8-12)20-18(23)14-5-4-6-15-17(14)21-16(22)11-24-15/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 110699731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).