(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one

C18H16N4O2 — CID 18598712

IUPAC(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@@H]2C=Cc2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-15-10-8-14(9-11-15)22-16(17(18(22)23)20-21-19)12-7-13-5-3-2-4-6-13/h2-12,16-17H,1H3/t16-,17+/m0/s1
InChIKeyDGWXTQVETZWWNQ-DLBZAZTESA-N
MW320.35 g/mol
LogP3.80
Rot. Bonds5

About (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one

(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one (PubChem CID 18598712) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one
PubChem CID18598712
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@@H]2C=Cc2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-15-10-8-14(9-11-15)22-16(17(18(22)23)20-21-19)12-7-13-5-3-2-4-6-13/h2-12,16-17H,1H3/t16-,17+/m0/s1
InChIKeyDGWXTQVETZWWNQ-DLBZAZTESA-N
XLogP3.80
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
(3S,4R)-3-butyl-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 101007675
methyl 2-[(3S,4R)-3-azido-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
CID 11000635
methyl 4-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]butanoate
CID 102264161
(3S,4R)-3-[[(1S,3R,4R,6R)-4-bromo-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]oxy]-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 15536182
(2aS,8R,8aR)-8-azido-6-chloro-1-(4-methoxyphenyl)-8,8a-dihydro-2aH-chromeno[3,2-b]azet-2-one
CID 100964485
methyl (E)-3-[[(3R,4S)-2-oxo-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-3-yl]amino]but-2-enoate
CID 70574548
3-amino-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-(2-phenylethenyl)azetidin-2-one
CID 70501844
(3R)-4-[(1E)-buta-1,3-dienyl]-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 100932718
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 102450032
(2R,3R)-1-(4-methoxyphenyl)-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 10403184
(3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-[(E)-3-oxobut-1-enyl]azetidin-2-one
CID 101112443

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one (CID 18598712) is (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@H](N=[N+]=[N-])[C@@H]2C=Cc2ccccc2)cc1.
What is the InChIKey of (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one?
The InChIKey is DGWXTQVETZWWNQ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-15-10-8-14(9-11-15)22-16(17(18(22)23)20-21-19)12-7-13-5-3-2-4-6-13/h2-12,16-17H,1H3/t16-,17+/m0/s1.
What are the key properties of (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one?
(3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-azido-1-(4-methoxyphenyl)-4-(2-phenylethenyl)azetidin-2-one is sourced from PubChem (CID 18598712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).