3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one

C15H22N2O2 — CID 117002473

IUPAC3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
SMILESCNCCC1COC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C15H22N2O2/c1-11-6-12(2)8-14(7-11)17-9-13(4-5-16-3)10-19-15(17)18/h6-8,13,16H,4-5,9-10H2,1-3H3
InChIKeyWTHAFFGFIXZIKR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.49
Rot. Bonds4

About 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one

3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one (PubChem CID 117002473) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
PubChem CID117002473
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
SMILESCNCCC1COC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C15H22N2O2/c1-11-6-12(2)8-14(7-11)17-9-13(4-5-16-3)10-19-15(17)18/h6-8,13,16H,4-5,9-10H2,1-3H3
InChIKeyWTHAFFGFIXZIKR-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002344
5-[2-(methylamino)ethyl]-3-(3-methylbutyl)-1,3-oxazinan-2-one
CID 117002464
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002450
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
methyl 3-[5-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]benzoate
CID 117002275
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
CID 117011560
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110328142

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one (CID 117002473) is 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one is CNCCC1COC(=O)N(c2cc(C)cc(C)c2)C1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
The InChIKey is WTHAFFGFIXZIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-12(2)8-14(7-11)17-9-13(4-5-16-3)10-19-15(17)18/h6-8,13,16H,4-5,9-10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 117002473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).