3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide

C13H16N2O4 — CID 115139190

IUPAC3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
SMILESCN(Cc1ccc2c(c1)NC(=O)CO2)C(=O)CCO
InChIInChI=1S/C13H16N2O4/c1-15(13(18)4-5-16)7-9-2-3-11-10(6-9)14-12(17)8-19-11/h2-3,6,16H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyZZKUMYPTWAIKAB-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.36
Rot. Bonds4

About 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide

3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide (PubChem CID 115139190) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
PubChem CID115139190
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
SMILESCN(Cc1ccc2c(c1)NC(=O)CO2)C(=O)CCO
InChIInChI=1S/C13H16N2O4/c1-15(13(18)4-5-16)7-9-2-3-11-10(6-9)14-12(17)8-19-11/h2-3,6,16H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyZZKUMYPTWAIKAB-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194804
N-benzyl-N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802705
6-[[methyl(methylaminomethyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 115227033
N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
CID 110390265
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
6-(2,2-dimethylpropyl)-4H-1,4-benzoxazin-3-one
CID 59743795
methyl 4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]butanoate
CID 110738387
N-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17403166
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetaldehyde
CID 91313215

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide (CID 115139190) is 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide is CN(Cc1ccc2c(c1)NC(=O)CO2)C(=O)CCO.
What is the InChIKey of 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide?
The InChIKey is ZZKUMYPTWAIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15(13(18)4-5-16)7-9-2-3-11-10(6-9)14-12(17)8-19-11/h2-3,6,16H,4-5,7-8H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide?
3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide has a molecular weight of 264.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide is sourced from PubChem (CID 115139190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).