(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione

C14H17NO3 — CID 102211172

IUPAC(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
SMILESCOc1ccc(N2C(=O)C(=O)[C@H]2C(C)(C)C)cc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)12-11(16)13(17)15(12)9-5-7-10(18-4)8-6-9/h5-8,12H,1-4H3/t12-/m0/s1
InChIKeyVWLBKPUCBJHMMA-LBPRGKRZSA-N
MW247.29 g/mol
LogP2.03
Rot. Bonds2

About (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione

(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione (PubChem CID 102211172) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione.

Molecular Properties

Compound Name(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
PubChem CID102211172
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
SMILESCOc1ccc(N2C(=O)C(=O)[C@H]2C(C)(C)C)cc1
InChIInChI=1S/C14H17NO3/c1-14(2,3)12-11(16)13(17)15(12)9-5-7-10(18-4)8-6-9/h5-8,12H,1-4H3/t12-/m0/s1
InChIKeyVWLBKPUCBJHMMA-LBPRGKRZSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
(2S,3S)-3-tert-butyl-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 15552488
(4R)-4-ethylsulfanyl-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 15421450
(4S)-1-(4-methoxyphenyl)-4-methyl-3-methylideneazetidin-2-one
CID 10655761
4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10958913
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 10402014
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-3-one
CID 54072038

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
The IUPAC name of (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione (CID 102211172) is (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione.
What is the SMILES notation for (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
The canonical SMILES for (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione is COc1ccc(N2C(=O)C(=O)[C@H]2C(C)(C)C)cc1.
What is the InChIKey of (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
The InChIKey is VWLBKPUCBJHMMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,3)12-11(16)13(17)15(12)9-5-7-10(18-4)8-6-9/h5-8,12H,1-4H3/t12-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione?
(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione has a molecular weight of 247.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione is sourced from PubChem (CID 102211172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).