(3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one

C16H21NO2 — CID 162413272

IUPAC(3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-19-15-14(12-8-4-2-5-9-12)17(16(15)18)13-10-6-3-7-11-13/h2,4-5,8-9,13-15H,3,6-7,10-11H2,1H3/t14-,15+/m0/s1
InChIKeyGUHGLFAENQMHJN-LSDHHAIUSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds3

About (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one

(3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one (PubChem CID 162413272) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one
PubChem CID162413272
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N(C2CCCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C16H21NO2/c1-19-15-14(12-8-4-2-5-9-12)17(16(15)18)13-10-6-3-7-11-13/h2,4-5,8-9,13-15H,3,6-7,10-11H2,1H3/t14-,15+/m0/s1
InChIKeyGUHGLFAENQMHJN-LSDHHAIUSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
(3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone
CID 10219589
(3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
CID 10969830
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
(Z)-2-[[(2R,3S)-3-methoxy-2-(4-methylphenyl)-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134138827
(Z)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134140894
(3R,4S)-3-methoxy-1-methylsulfanyl-4-phenylazetidin-2-one
CID 9834446
(3S,4R)-1-Acetyl-3-methoxy-4-((E)-1-methyl-2-phenyl-vinyl)-azetidin-2-one
CID 44319331
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
2,4-Dibenzyl-morpholin-3-one
CID 10468932
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one (CID 162413272) is (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one is CO[C@H]1C(=O)N(C2CCCCC2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one?
The InChIKey is GUHGLFAENQMHJN-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-14(12-8-4-2-5-9-12)17(16(15)18)13-10-6-3-7-11-13/h2,4-5,8-9,13-15H,3,6-7,10-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one?
(3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclohexyl-3-methoxy-4-phenylazetidin-2-one is sourced from PubChem (CID 162413272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).