(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one

C20H21NO2 — CID 134919598

IUPAC(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCO[C@@]1(C)C(=O)N(Cc2ccccc2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H21NO2/c1-20(23-2)18(14-13-16-9-5-3-6-10-16)21(19(20)22)15-17-11-7-4-8-12-17/h3-14,18H,15H2,1-2H3/b14-13+/t18-,20+/m0/s1
InChIKeyQGZJPVPIOWNNGP-LLCKLDCASA-N
MW307.39 g/mol
LogP3.52
Rot. Bonds5

About (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one

(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 134919598) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID134919598
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCO[C@@]1(C)C(=O)N(Cc2ccccc2)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H21NO2/c1-20(23-2)18(14-13-16-9-5-3-6-10-16)21(19(20)22)15-17-11-7-4-8-12-17/h3-14,18H,15H2,1-2H3/b14-13+/t18-,20+/m0/s1
InChIKeyQGZJPVPIOWNNGP-LLCKLDCASA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 134919598) is (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one is CO[C@@]1(C)C(=O)N(Cc2ccccc2)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is QGZJPVPIOWNNGP-LLCKLDCASA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(23-2)18(14-13-16-9-5-3-6-10-16)21(19(20)22)15-17-11-7-4-8-12-17/h3-14,18H,15H2,1-2H3/b14-13+/t18-,20+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 134919598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).