(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one

C14H19NO2 — CID 101417373

IUPAC(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](C)C(=O)N2C(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-9(2)15-13(10(3)14(15)16)11-5-7-12(17-4)8-6-11/h5-10,13H,1-4H3/t10-,13+/m1/s1
InChIKeySGXLLJZKLSRBCI-MFKMUULPSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds3

About (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one

(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one (PubChem CID 101417373) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one
PubChem CID101417373
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](C)C(=O)N2C(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-9(2)15-13(10(3)14(15)16)11-5-7-12(17-4)8-6-11/h5-10,13H,1-4H3/t10-,13+/m1/s1
InChIKeySGXLLJZKLSRBCI-MFKMUULPSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-methyl-4-(4-nitrophenyl)-1-propan-2-ylazetidin-2-one
CID 102274506
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985
1-butan-2-yl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 53214378
4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 82193106
2-(4-methoxyphenyl)-5-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83245525
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(4R)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 144520050
(3S,4S)-1-(3,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxyphenyl)azetidin-2-one
CID 56963906
(2R,3R,4R,5R)-1-hydroxy-2-(4-methoxyphenyl)-5-methyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 11428095

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one (CID 101417373) is (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one is COc1ccc([C@@H]2[C@@H](C)C(=O)N2C(C)C)cc1.
What is the InChIKey of (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one?
The InChIKey is SGXLLJZKLSRBCI-MFKMUULPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)15-13(10(3)14(15)16)11-5-7-12(17-4)8-6-11/h5-10,13H,1-4H3/t10-,13+/m1/s1.
What are the key properties of (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one?
(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 101417373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).