4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide

C13H16N2O4 — CID 115162804

IUPAC4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
SMILESCN1C(=O)COc2ccc(NC(=O)CCCO)cc21
InChIInChI=1S/C13H16N2O4/c1-15-10-7-9(14-12(17)3-2-6-16)4-5-11(10)19-8-13(15)18/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,17)
InChIKeyQNJWRPFGYIXEQT-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.75
Rot. Bonds4

About 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide

4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide (PubChem CID 115162804) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
PubChem CID115162804
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
SMILESCN1C(=O)COc2ccc(NC(=O)CCCO)cc21
InChIInChI=1S/C13H16N2O4/c1-15-10-7-9(14-12(17)3-2-6-16)4-5-11(10)19-8-13(15)18/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,17)
InChIKeyQNJWRPFGYIXEQT-UHFFFAOYSA-N
XLogP0.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 115179617
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464
3-[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 51599027
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]propanoate
CID 82316757

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide (CID 115162804) is 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide is CN1C(=O)COc2ccc(NC(=O)CCCO)cc21.
What is the InChIKey of 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is QNJWRPFGYIXEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15-10-7-9(14-12(17)3-2-6-16)4-5-11(10)19-8-13(15)18/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 264.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 115162804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).