3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one

C12H16N2O2 — CID 103145543

IUPAC3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(N2CCCOC2=O)c(C)cc1N
InChIInChI=1S/C12H16N2O2/c1-8-7-11(9(2)6-10(8)13)14-4-3-5-16-12(14)15/h6-7H,3-5,13H2,1-2H3
InChIKeyKTWBKGBFQCHIMJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.23
Rot. Bonds1

About 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one

3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one (PubChem CID 103145543) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one
PubChem CID103145543
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(N2CCCOC2=O)c(C)cc1N
InChIInChI=1S/C12H16N2O2/c1-8-7-11(9(2)6-10(8)13)14-4-3-5-16-12(14)15/h6-7H,3-5,13H2,1-2H3
InChIKeyKTWBKGBFQCHIMJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one (CID 103145543) is 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one is Cc1cc(N2CCCOC2=O)c(C)cc1N.
What is the InChIKey of 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is KTWBKGBFQCHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-7-11(9(2)6-10(8)13)14-4-3-5-16-12(14)15/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one?
3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,5-dimethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 103145543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).