(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

C19H19NO3 — CID 102251895

IUPAC(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCO/C=C\[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-22-13-12-17-18(14-6-4-3-5-7-14)20(19(17)21)15-8-10-16(23-2)11-9-15/h3-13,17-18H,1-2H3/b13-12-/t17-,18-/m1/s1
InChIKeyANTIVUIESVSWJD-YXZPIEPFSA-N
MW309.37 g/mol
LogP3.56
Rot. Bonds5

About (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (PubChem CID 102251895) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
PubChem CID102251895
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SMILESCO/C=C\[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-22-13-12-17-18(14-6-4-3-5-7-14)20(19(17)21)15-8-10-16(23-2)11-9-15/h3-13,17-18H,1-2H3/b13-12-/t17-,18-/m1/s1
InChIKeyANTIVUIESVSWJD-YXZPIEPFSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-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

Related Compounds

(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101178816
methyl (E)-3-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]amino]but-2-enoate
CID 70575634
(4S,5S)-4-tert-butyl-1,3-bis(4-methoxyphenyl)-5-phenylimidazolidin-2-one
CID 10574666
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one (CID 102251895) is (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is CO/C=C\[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
The InChIKey is ANTIVUIESVSWJD-YXZPIEPFSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-13-12-17-18(14-6-4-3-5-7-14)20(19(17)21)15-8-10-16(23-2)11-9-15/h3-13,17-18H,1-2H3/b13-12-/t17-,18-/m1/s1.
What are the key properties of (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one?
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 102251895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).