4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide

C23H20N2O3 — CID 53023806

IUPAC4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)CO3)cc1
InChIInChI=1S/C23H20N2O3/c1-16-7-10-19(11-8-16)24-23(27)18-9-12-21-20(13-18)25(22(26)15-28-21)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyHCXMFGGZNKSLBL-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.17
Rot. Bonds4

About 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide

4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 53023806) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID53023806
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)CO3)cc1
InChIInChI=1S/C23H20N2O3/c1-16-7-10-19(11-8-16)24-23(27)18-9-12-21-20(13-18)25(22(26)15-28-21)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyHCXMFGGZNKSLBL-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023879
N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023929
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877
N-(3-chloro-4-methoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023940
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
4-benzyl-3-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-benzoxazine-7-carboxamide
CID 139779674
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
4-benzyl-N-(4-ethylphenyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894734
propan-2-yl 4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411118
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide (CID 53023806) is 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)CO3)cc1.
What is the InChIKey of 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is HCXMFGGZNKSLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16-7-10-19(11-8-16)24-23(27)18-9-12-21-20(13-18)25(22(26)15-28-21)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,27).
What are the key properties of 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53023806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).