3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide

C16H20N2O4 — CID 174312752

IUPAC3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCOCC1=C(c2ccccc2)C(=O)N(CC(C)C(N)=O)CO1
InChIInChI=1S/C16H20N2O4/c1-11(15(17)19)8-18-10-22-13(9-21-2)14(16(18)20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,17,19)
InChIKeyKRAHUPMXJHNENU-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.98
Rot. Bonds6

About 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide

3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide (PubChem CID 174312752) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
PubChem CID174312752
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCOCC1=C(c2ccccc2)C(=O)N(CC(C)C(N)=O)CO1
InChIInChI=1S/C16H20N2O4/c1-11(15(17)19)8-18-10-22-13(9-21-2)14(16(18)20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,17,19)
InChIKeyKRAHUPMXJHNENU-UHFFFAOYSA-N
XLogP0.98
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(Diethylamino)ethyl)-3,4-dimethoxy-alpha-((3,4,5-trimethoxyphenyl)methylene)phenylacetamide monohydrochloride
CID 44145911
6-methyl-3-(2-methyl-3-oxopentyl)-5-phenyl-2H-1,3-oxazin-4-one
CID 54082212
6-methyl-3-(2-methyl-3-oxohex-5-enyl)-5-phenyl-2H-1,3-oxazin-4-one
CID 57298604
N-[(2S)-4-amino-4-oxo-1-phenylbutan-2-yl]-5-cyclohexa-1,3-dien-1-yl-N-methyl-1,4-dioxine-2-carboxamide
CID 68489319
N-(4-amino-4-oxo-1-phenylbutan-2-yl)-5-cyclohexa-1,3-dien-1-yl-N-methyl-1,4-dioxine-2-carboxamide
CID 68491148
N-[3,5-dimethoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]-2-phenylacetamide
CID 88338780
butyl 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 140407005
butyl 3-[6-(hydroxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 140407009
6-(Methoxymethyl)-5-phenyl-2,3-dihydro-1,3-oxazin-4-one
CID 140987722
2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
CID 140987726
4-methoxy-3-(2-methoxyethoxymethyl)-N-methyl-N-propan-2-ylcyclohepta-1,3,5-triene-1-carboxamide;N-methyl-2-phenyl-N-(pyrrolidin-3-ylmethyl)acetamide
CID 143294961
4,5-dimethoxy-3-phenyl-1H-pyridin-2-one
CID 153770551

Frequently Asked Questions

What is the IUPAC name of 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The IUPAC name of 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide (CID 174312752) is 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The canonical SMILES for 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide is COCC1=C(c2ccccc2)C(=O)N(CC(C)C(N)=O)CO1.
What is the InChIKey of 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The InChIKey is KRAHUPMXJHNENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(15(17)19)8-18-10-22-13(9-21-2)14(16(18)20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,17,19).
What are the key properties of 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide has a molecular weight of 304.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 174312752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).