3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one

C14H20N2O2 — CID 117002326

IUPAC3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
SMILESCNCC1COC(=O)N(c2c(C)cccc2C)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-4-6-11(2)13(10)16-8-12(7-15-3)9-18-14(16)17/h4-6,12,15H,7-9H2,1-3H3
InChIKeyKGCXOAUJEBJCGR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.10
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one

3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one (PubChem CID 117002326) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
PubChem CID117002326
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
SMILESCNCC1COC(=O)N(c2c(C)cccc2C)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-4-6-11(2)13(10)16-8-12(7-15-3)9-18-14(16)17/h4-6,12,15H,7-9H2,1-3H3
InChIKeyKGCXOAUJEBJCGR-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
3-(3-bromo-4-methylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002344
3-(2,6-dimethylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010267
5-(methylaminomethyl)-3-(pyridin-4-ylmethyl)-1,3-oxazinan-2-one
CID 117002311
3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002304
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
2-[3-(3-chlorophenyl)-2-oxo-1,3-oxazinan-5-yl]acetic acid
CID 117002175
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one (CID 117002326) is 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one is CNCC1COC(=O)N(c2c(C)cccc2C)C1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one?
The InChIKey is KGCXOAUJEBJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-4-6-11(2)13(10)16-8-12(7-15-3)9-18-14(16)17/h4-6,12,15H,7-9H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one?
3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).