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

C14H25NO2 — CID 101155621

IUPAC(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(C)C[C@H]1C[C@@H](C2CCCCC2)NC(=O)O1
InChIInChI=1S/C14H25NO2/c1-10(2)8-12-9-13(15-14(16)17-12)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyBBRLKIOHIZFIAK-STQMWFEESA-N
MW239.36 g/mol
LogP3.48
Rot. Bonds3

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

(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 101155621) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID101155621
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(C)C[C@H]1C[C@@H](C2CCCCC2)NC(=O)O1
InChIInChI=1S/C14H25NO2/c1-10(2)8-12-9-13(15-14(16)17-12)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyBBRLKIOHIZFIAK-STQMWFEESA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-Methyl-2-(propan-2-yl)cyclohexyl cyclohexylcarbamate
CID 22978781
4-cyclohexylbutyl N-cyclohexylcarbamate
CID 22978793
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 59044268
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 51682697
rac-tert-butyl N-((2R,3S)-2-(piperidin-4-yl)oxan-3-yl)carbamate
CID 125180940
N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
2-methylcyclohexyl N-cyclohexylcarbamate
CID 5128034
(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 11389810
tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate
CID 42643137
tert-butyl N-[(1S)-1-cyclohexyl-3-hydroxypropyl]carbamate
CID 51650773
Benzo[d][1,3]-oxazin-2-one, perhydro-4-methyl-
CID 557478

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one (CID 101155621) is (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-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)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is BBRLKIOHIZFIAK-STQMWFEESA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)8-12-9-13(15-14(16)17-12)11-6-4-3-5-7-11/h10-13H,3-9H2,1-2H3,(H,15,16)/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 239.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 101155621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).