2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide

C24H28N2O4 — CID 25099242

IUPAC2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CC(O)(CC(C)(C)C)C(=O)Nc2ccc3c(=O)onc(C)c3c2)cc1
InChIInChI=1S/C24H28N2O4/c1-15-6-8-17(9-7-15)13-24(29,14-23(3,4)5)22(28)25-18-10-11-19-20(12-18)16(2)26-30-21(19)27/h6-12,29H,13-14H2,1-5H3,(H,25,28)
InChIKeyMNVZSKSSXHOIDG-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.15
Rot. Bonds5

About 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide

2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide (PubChem CID 25099242) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide
PubChem CID25099242
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CC(O)(CC(C)(C)C)C(=O)Nc2ccc3c(=O)onc(C)c3c2)cc1
InChIInChI=1S/C24H28N2O4/c1-15-6-8-17(9-7-15)13-24(29,14-23(3,4)5)22(28)25-18-10-11-19-20(12-18)16(2)26-30-21(19)27/h6-12,29H,13-14H2,1-5H3,(H,25,28)
InChIKeyMNVZSKSSXHOIDG-UHFFFAOYSA-N
XLogP4.15
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
CID 71027221
2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 25096671
4-(2,6-difluorophenyl)-2-fluoro-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)hexanamide
CID 23518460
2-[(2-chlorophenyl)methyl]-2-hydroxy-4-(2-methoxyphenyl)-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pentanamide
CID 90889727
2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide
CID 143706408
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-[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
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-cyclohexyl-2-hydroxy-4-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)but-3-ynamide
CID 42642077
2-[2-(2-chloro-5-fluorophenyl)-2-methylpropyl]-2-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)oct-3-ynamide
CID 71228561
4-(2-chloro-5-fluorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethynyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pentanamide
CID 15948869

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide?
The IUPAC name of 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide (CID 25099242) is 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide?
The canonical SMILES for 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide is Cc1ccc(CC(O)(CC(C)(C)C)C(=O)Nc2ccc3c(=O)onc(C)c3c2)cc1.
What is the InChIKey of 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide?
The InChIKey is MNVZSKSSXHOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15-6-8-17(9-7-15)13-24(29,14-23(3,4)5)22(28)25-18-10-11-19-20(12-18)16(2)26-30-21(19)27/h6-12,29H,13-14H2,1-5H3,(H,25,28).
What are the key properties of 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide?
2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide has a molecular weight of 408.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 25099242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).