(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one

C18H21NO3 — CID 171187289

IUPAC(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCCOc1ccc2ccccc2c1[C@@H]1NC(=O)OCC1(C)C
InChIInChI=1S/C18H21NO3/c1-4-21-14-10-9-12-7-5-6-8-13(12)15(14)16-18(2,3)11-22-17(20)19-16/h5-10,16H,4,11H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyFGIIKCAGPSZHSM-INIZCTEOSA-N
MW299.37 g/mol
LogP4.05
Rot. Bonds3

About (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one

(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 171187289) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID171187289
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCCOc1ccc2ccccc2c1[C@@H]1NC(=O)OCC1(C)C
InChIInChI=1S/C18H21NO3/c1-4-21-14-10-9-12-7-5-6-8-13(12)15(14)16-18(2,3)11-22-17(20)19-16/h5-10,16H,4,11H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyFGIIKCAGPSZHSM-INIZCTEOSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188717
(4R)-4-anthracen-9-yl-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187535
(4S)-4-(3-ethoxy-2-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188872
(4R)-4-(3-ethoxy-2-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187476
(4R)-4-(4-methoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188689
(4R)-5,5-dimethyl-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171187804
(4S)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171188455
(4R)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
CID 171187073
(4S)-4-(2,6-dichlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187548
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188683
(2R)-2-(2-ethoxynaphthalen-1-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 7101246
(4S)-5,5-dimethyl-4-(4-phenylphenyl)-1,3-oxazinan-2-one
CID 171186947

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one (CID 171187289) is (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one is CCOc1ccc2ccccc2c1[C@@H]1NC(=O)OCC1(C)C.
What is the InChIKey of (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is FGIIKCAGPSZHSM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-21-14-10-9-12-7-5-6-8-13(12)15(14)16-18(2,3)11-22-17(20)19-16/h5-10,16H,4,11H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one?
(4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 299.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-ethoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 171187289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).