(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride

C14H20ClNO2 — CID 171187242

IUPAC(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
SMILESCc1ccc([C@@H]2NC(=O)OCC2(C)C)c(C)c1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-9-5-6-11(10(2)7-9)12-14(3,4)8-17-13(16)15-12;/h5-7,12H,8H2,1-4H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyWVVWEZFBFBURLP-YDALLXLXSA-N
MW269.77 g/mol
LogP3.53
Rot. Bonds1

About (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride

(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171187242) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
PubChem CID171187242
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
SMILESCc1ccc([C@@H]2NC(=O)OCC2(C)C)c(C)c1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-9-5-6-11(10(2)7-9)12-14(3,4)8-17-13(16)15-12;/h5-7,12H,8H2,1-4H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyWVVWEZFBFBURLP-YDALLXLXSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(2,4-dimethylphenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187237
(4R)-4-(2-hydroxy-5-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186433
(4R)-5,5-dimethyl-4-(2-methylphenyl)-1,3-oxazinan-2-one
CID 171188493
(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188148
(4R)-5,5-dimethyl-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188502
(4R)-4-(3-fluoro-2-methylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187970
(4S)-4-[2-chloro-4-(dimethylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188618
(4R)-4-(2-chloro-4-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186570
(4S)-4-(4-bromo-2-chlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187996
(4R)-4-(2-bromophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186085
(4S)-4-(3-chloro-2-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188426
(4R)-4-(2-bromo-4-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186369

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride (CID 171187242) is (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride is Cc1ccc([C@@H]2NC(=O)OCC2(C)C)c(C)c1.Cl.
What is the InChIKey of (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is WVVWEZFBFBURLP-YDALLXLXSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-9-5-6-11(10(2)7-9)12-14(3,4)8-17-13(16)15-12;/h5-7,12H,8H2,1-4H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride?
(4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,4-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171187242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).