2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide

C24H20N2O4 — CID 71027221

IUPAC2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(C(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c1-15-8-10-18(11-9-15)24(29,17-6-4-3-5-7-17)23(28)25-19-12-13-20-21(14-19)16(2)26-30-22(20)27/h3-14,29H,1-2H3,(H,25,28)
InChIKeyRNRGJPZUVRJXIW-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.68
Rot. Bonds4

About 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide

2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide (PubChem CID 71027221) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
PubChem CID71027221
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(C(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c1-15-8-10-18(11-9-15)24(29,17-6-4-3-5-7-17)23(28)25-19-12-13-20-21(14-19)16(2)26-30-22(20)27/h3-14,29H,1-2H3,(H,25,28)
InChIKeyRNRGJPZUVRJXIW-UHFFFAOYSA-N
XLogP3.68
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide
CID 25099242
2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]pentanamide
CID 15948518
2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 25096671
2-[2-[4-(dimethylamino)phenyl]ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-phenylpentanamide
CID 15948517
2-(4-cyanophenyl)-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 25095652
2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide
CID 143706408
4-(2,6-difluorophenyl)-2-fluoro-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)hexanamide
CID 23518460
2-[(N,2-dimethylanilino)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 42628935
4,6-dimethyl-2,3-benzoxazin-1-one
CID 23398138
3,3,3-trifluoro-2-hydroxy-2-(3H-inden-1-ylmethyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 11212571
2-hydroxy-N-(1-methyl-6-oxo-3-pyridinyl)-2,2-diphenylacetamide
CID 110901708
2-[2-(4-tert-butylphenyl)ethynyl]-4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pentanamide
CID 15948410

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide (CID 71027221) is 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(C(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is RNRGJPZUVRJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-8-10-18(11-9-15)24(29,17-6-4-3-5-7-17)23(28)25-19-12-13-20-21(14-19)16(2)26-30-22(20)27/h3-14,29H,1-2H3,(H,25,28).
What are the key properties of 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide?
2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 400.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 71027221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).