(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one

C14H19NO4 — CID 171187783

IUPAC(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCOc1ccc([C@H]2NC(=O)OCC2(C)C)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-14(2)8-19-13(16)15-12(14)10-6-5-9(17-3)7-11(10)18-4/h5-7,12H,8H2,1-4H3,(H,15,16)/t12-/m1/s1
InChIKeyLKNPWNCJVIGTLG-GFCCVEGCSA-N
MW265.31 g/mol
LogP2.51
Rot. Bonds3

About (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one

(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171187783) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171187783
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCOc1ccc([C@H]2NC(=O)OCC2(C)C)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-14(2)8-19-13(16)15-12(14)10-6-5-9(17-3)7-11(10)18-4/h5-7,12H,8H2,1-4H3,(H,15,16)/t12-/m1/s1
InChIKeyLKNPWNCJVIGTLG-GFCCVEGCSA-N
XLogP2.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186269
(4R)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186427
(4S)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187768
(4S)-4-(2-fluoro-5-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188507
(4R)-4-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186312
(4S)-5,5-dimethyl-4-(2,4,6-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187776
(4S)-4-(4-bromo-2,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188765
(4R)-4-(2-fluoro-3-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186686
(4R)-4-(4-methoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188689
(4S)-4-(2-fluoro-4,5-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188714
(4R)-5,5-difluoro-4-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one
CID 171188885
(4R)-4-(3-methoxy-4-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188110

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one (CID 171187783) is (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one is COc1ccc([C@H]2NC(=O)OCC2(C)C)c(OC)c1.
What is the InChIKey of (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is LKNPWNCJVIGTLG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2)8-19-13(16)15-12(14)10-6-5-9(17-3)7-11(10)18-4/h5-7,12H,8H2,1-4H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one?
(4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171187783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).