(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one

C19H22N2O4 — CID 11198655

IUPAC(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](OC)[C@@H]1[C@H]1[C@@H](Oc2ccccc2)C(=O)N1CC=C
InChIInChI=1S/C19H22N2O4/c1-4-11-20-14(16(24-3)18(20)22)15-17(19(23)21(15)12-5-2)25-13-9-7-6-8-10-13/h4-10,14-17H,1-2,11-12H2,3H3/t14-,15-,16+,17+/m0/s1
InChIKeyFOCJBZIOBSEMBL-MWDXBVQZSA-N
MW342.40 g/mol
LogP1.24
Rot. Bonds8

About (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one

(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one (PubChem CID 11198655) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one
PubChem CID11198655
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one
SMILESC=CCN1C(=O)[C@H](OC)[C@@H]1[C@H]1[C@@H](Oc2ccccc2)C(=O)N1CC=C
InChIInChI=1S/C19H22N2O4/c1-4-11-20-14(16(24-3)18(20)22)15-17(19(23)21(15)12-5-2)25-13-9-7-6-8-10-13/h4-10,14-17H,1-2,11-12H2,3H3/t14-,15-,16+,17+/m0/s1
InChIKeyFOCJBZIOBSEMBL-MWDXBVQZSA-N
XLogP1.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-(2-chloropropan-2-yl)-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 11150179
(3S,4R)-4-ethynyl-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 10799314
(3R,4S)-4-(1-hydroxybut-3-enyl)-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 53255291
(3S,4R)-4-(1-methylimidazol-2-yl)-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 122208454
(3R,4S)-4-[(1S)-1-azido-3-phenylprop-2-ynyl]-3-phenoxy-1-prop-2-enylazetidin-2-one
CID 101339213
(3R,4S)-3-methoxy-1-prop-2-enyl-4-thiophen-3-ylazetidin-2-one
CID 101065904
(3S,4R)-1-[2-[(3R,4S)-2-oxo-3-phenoxy-4-phenylazetidin-1-yl]ethyl]-3-phenoxy-4-phenylazetidin-2-one
CID 101075426
2-methyl-1,3-bis(prop-2-enyl)-2H-benzimidazole
CID 90703789
(3R,4S)-1-buta-2,3-dienyl-4-[(1R)-1-methoxy-2-methylbuta-2,3-dienyl]-3-phenoxyazetidin-2-one
CID 135072513
methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenoxyazetidin-1-yl]but-2-enoate
CID 10613125
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
4-(2-bromophenyl)-3-phenylmethoxy-1-prop-2-enylazetidin-2-one
CID 11245716

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one (CID 11198655) is (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one is C=CCN1C(=O)[C@H](OC)[C@@H]1[C@H]1[C@@H](Oc2ccccc2)C(=O)N1CC=C.
What is the InChIKey of (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one?
The InChIKey is FOCJBZIOBSEMBL-MWDXBVQZSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-11-20-14(16(24-3)18(20)22)15-17(19(23)21(15)12-5-2)25-13-9-7-6-8-10-13/h4-10,14-17H,1-2,11-12H2,3H3/t14-,15-,16+,17+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one?
(3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-[(2S,3R)-4-oxo-3-phenoxy-1-prop-2-enylazetidin-2-yl]-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 11198655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).