4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide

C19H20N2O3 — CID 110713165

IUPAC4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)cc1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)13-9-7-12(8-10-13)18(23)20-14-5-4-6-15-17(14)21-16(22)11-24-15/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyXKZWKAJWOGIEAX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.57
Rot. Bonds2

About 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide

4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide (PubChem CID 110713165) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
PubChem CID110713165
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)cc1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)13-9-7-12(8-10-13)18(23)20-14-5-4-6-15-17(14)21-16(22)11-24-15/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyXKZWKAJWOGIEAX-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

N-(4-tert-butylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699731
3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 154768927
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
CID 110713199
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-5-yl)furan-2-carboxamide
CID 110742113
1-benzyl-3-(3-oxo-4H-1,4-benzoxazin-5-yl)urea
CID 110747359
3-oxo-N-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazine-5-carboxamide
CID 110699758
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699718
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
CID 110699795
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide (CID 110713165) is 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
The InChIKey is XKZWKAJWOGIEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,3)13-9-7-12(8-10-13)18(23)20-14-5-4-6-15-17(14)21-16(22)11-24-15/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide 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 4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide is sourced from PubChem (CID 110713165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).