(4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one

C14H19NO2 — CID 101155622

IUPAC(4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one
SMILESCC(C)C[C@H]1C[C@@H](c2ccccc2)NC(=O)O1
InChIInChI=1S/C14H19NO2/c1-10(2)8-12-9-13(15-14(16)17-12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyGTTMJAXNTAJFSQ-STQMWFEESA-N
MW233.31 g/mol
LogP3.27
Rot. Bonds3

About (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one

(4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one (PubChem CID 101155622) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one
PubChem CID101155622
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one
SMILESCC(C)C[C@H]1C[C@@H](c2ccccc2)NC(=O)O1
InChIInChI=1S/C14H19NO2/c1-10(2)8-12-9-13(15-14(16)17-12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyGTTMJAXNTAJFSQ-STQMWFEESA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-Butyl {(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl}carbamate
CID 9813904
Propan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 6636318
methyl (4R,5S,6R)-6-methyl-2-oxo-4-phenyl-1,3-oxazinane-5-carboxylate
CID 9549881
4-Phenyl-1,3-oxazinan-2-one
CID 12163896
(2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane
CID 9903372
tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate
CID 26188507
[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate
CID 122189558
[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate
CID 122189559
[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate
CID 122189560
[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate
CID 122189561
5-phenylpentyl N-cyclohexylcarbamate
CID 10913246

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one (CID 101155622) is (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one is CC(C)C[C@H]1C[C@@H](c2ccccc2)NC(=O)O1.
What is the InChIKey of (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one?
The InChIKey is GTTMJAXNTAJFSQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)8-12-9-13(15-14(16)17-12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,15,16)/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one?
(4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(2-methylpropyl)-4-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 101155622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).