(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one

C22H25NO2 — CID 10640545

IUPAC(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](CCCc2ccccc2)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H25NO2/c1-3-16-23-21(18-12-14-19(25-2)15-13-18)20(22(23)24)11-7-10-17-8-5-4-6-9-17/h3-6,8-9,12-15,20-21H,1,7,10-11,16H2,2H3/t20-,21-/m1/s1
InChIKeyFCQMCKBMDJSCMW-NHCUHLMSSA-N
MW335.45 g/mol
LogP4.40
Rot. Bonds8

About (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one

(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one (PubChem CID 10640545) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one
PubChem CID10640545
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](CCCc2ccccc2)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H25NO2/c1-3-16-23-21(18-12-14-19(25-2)15-13-18)20(22(23)24)11-7-10-17-8-5-4-6-9-17/h3-6,8-9,12-15,20-21H,1,7,10-11,16H2,2H3/t20-,21-/m1/s1
InChIKeyFCQMCKBMDJSCMW-NHCUHLMSSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one (CID 10640545) is (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](CCCc2ccccc2)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one?
The InChIKey is FCQMCKBMDJSCMW-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-16-23-21(18-12-14-19(25-2)15-13-18)20(22(23)24)11-7-10-17-8-5-4-6-9-17/h3-6,8-9,12-15,20-21H,1,7,10-11,16H2,2H3/t20-,21-/m1/s1.
What are the key properties of (3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one?
(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 4.40, 8 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-(3-phenylpropyl)-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 10640545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).