(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one

C20H23NO2 — CID 10614850

IUPAC(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2C)cc1
InChIInChI=1S/C20H23NO2/c1-21-19(16-11-13-17(23-2)14-12-16)18(20(21)22)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14,18-19H,6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKeyNBLFSEMLLFQCLF-RTBURBONSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds6

About (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one

(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 10614850) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one
PubChem CID10614850
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2C)cc1
InChIInChI=1S/C20H23NO2/c1-21-19(16-11-13-17(23-2)14-12-16)18(20(21)22)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14,18-19H,6,9-10H2,1-2H3/t18-,19-/m1/s1
InChIKeyNBLFSEMLLFQCLF-RTBURBONSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-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)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one (CID 10614850) is (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one is COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2C)cc1.
What is the InChIKey of (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is NBLFSEMLLFQCLF-RTBURBONSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21-19(16-11-13-17(23-2)14-12-16)18(20(21)22)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14,18-19H,6,9-10H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of (3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one?
(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.85, 6 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)-1-methyl-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 10614850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).