(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

C19H21NO2 — CID 10661553

IUPAC(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2NC(=O)[C@@H]2CCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-22-16-12-10-15(11-13-16)18-17(19(21)20-18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18H,5,8-9H2,1H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyXCLUZYZJFYTPEA-QZTJIDSGSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds6

About (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 10661553) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
PubChem CID10661553
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@H]2NC(=O)[C@@H]2CCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-22-16-12-10-15(11-13-16)18-17(19(21)20-18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18H,5,8-9H2,1H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyXCLUZYZJFYTPEA-QZTJIDSGSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (CID 10661553) is (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is COc1ccc([C@H]2NC(=O)[C@@H]2CCCc2ccccc2)cc1.
What is the InChIKey of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is XCLUZYZJFYTPEA-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-16-12-10-15(11-13-16)18-17(19(21)20-18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18H,5,8-9H2,1H3,(H,20,21)/t17-,18-/m1/s1.
What are the key properties of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 10661553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).