(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one

C20H21NO3 — CID 122372888

IUPAC(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-4-12-21-19(14-8-6-5-7-9-14)18(20(21)22)15-10-11-16(23-2)17(13-15)24-3/h4-11,13,18-19H,1,12H2,2-3H3/t18-,19-/m1/s1
InChIKeyFBUGDYREPIQCPX-RTBURBONSA-N
MW323.39 g/mol
LogP3.56
Rot. Bonds6

About (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one

(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one (PubChem CID 122372888) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
PubChem CID122372888
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO3/c1-4-12-21-19(14-8-6-5-7-9-14)18(20(21)22)15-10-11-16(23-2)17(13-15)24-3/h4-11,13,18-19H,1,12H2,2-3H3/t18-,19-/m1/s1
InChIKeyFBUGDYREPIQCPX-RTBURBONSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one (CID 122372888) is (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](c2ccc(OC)c(OC)c2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one?
The InChIKey is FBUGDYREPIQCPX-RTBURBONSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-12-21-19(14-8-6-5-7-9-14)18(20(21)22)15-10-11-16(23-2)17(13-15)24-3/h4-11,13,18-19H,1,12H2,2-3H3/t18-,19-/m1/s1.
What are the key properties of (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one?
(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 122372888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).