N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride

C14H19ClN2O3 — CID 171188220

IUPACN-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@H]2NC(=O)OCC2(C)C)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-9(17)15-11-6-4-10(5-7-11)12-14(2,3)8-19-13(18)16-12;/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18);1H/t12-;/m1./s1
InChIKeyORPLSAXRCYXUCO-UTONKHPSSA-N
MW298.77 g/mol
LogP2.87
Rot. Bonds2

About N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride

N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride (PubChem CID 171188220) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride
PubChem CID171188220
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@H]2NC(=O)OCC2(C)C)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-9(17)15-11-6-4-10(5-7-11)12-14(2,3)8-19-13(18)16-12;/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18);1H/t12-;/m1./s1
InChIKeyORPLSAXRCYXUCO-UTONKHPSSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3,4-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186417
(4R)-4-(3,4-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188446
(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
CID 171186947
(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171187804
(4R)-5,5-dimethyl-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188502
(4R)-4-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188546
(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548
N-[4-(2,4-dioxo-1,3-oxazolidin-5-yl)phenyl]acetamide
CID 110720579
(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188148
(4R)-4-(3-fluoro-2-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186147
4-[(4R)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]benzoic acid;hydrochloride
CID 171187582
(4R)-4-(4-methoxy-3,5-dimethylphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188579

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride (CID 171188220) is N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc([C@H]2NC(=O)OCC2(C)C)cc1.Cl.
What is the InChIKey of N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride?
The InChIKey is ORPLSAXRCYXUCO-UTONKHPSSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-9(17)15-11-6-4-10(5-7-11)12-14(2,3)8-19-13(18)16-12;/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18);1H/t12-;/m1./s1.
What are the key properties of N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride?
N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R)-5,5-dimethyl-2-oxo-1,3-oxazinan-4-yl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171188220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).