(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one

C20H21NO2 — CID 11324265

IUPAC(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
SMILESC=C[C@@H]1C(=O)N([C@H](COC)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO2/c1-3-17-19(16-12-8-5-9-13-16)21(20(17)22)18(14-23-2)15-10-6-4-7-11-15/h3-13,17-19H,1,14H2,2H3/t17-,18+,19-/m0/s1
InChIKeyADPCNBOUVRJKTP-OTWHNJEPSA-N
MW307.39 g/mol
LogP3.76
Rot. Bonds6

About (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one

(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one (PubChem CID 11324265) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
PubChem CID11324265
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
SMILESC=C[C@@H]1C(=O)N([C@H](COC)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H21NO2/c1-3-17-19(16-12-8-5-9-13-16)21(20(17)22)18(14-23-2)15-10-6-4-7-11-15/h3-13,17-19H,1,14H2,2H3/t17-,18+,19-/m0/s1
InChIKeyADPCNBOUVRJKTP-OTWHNJEPSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
1-Benzyl-2-(4-methylphenyl)-4-oxo-3-azetidinyl acetate
CID 4231036
(Z)-2-[[(2R,3S)-3-methoxy-2-(4-methylphenyl)-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134138827
(Z)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134140894
(3R,4S)-3-methoxy-1-methylsulfanyl-4-phenylazetidin-2-one
CID 9834446
(3S,4R)-1-Acetyl-3-methoxy-4-phenyl-azetidin-2-one
CID 44319641
2,4-Dibenzyl-morpholin-3-one
CID 10468932
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263
Glycine, N-cyclohexyl-2-phenyl-N-(phenylacetyl)-, methyl ester
CID 3068540
Glycine, N-benzyl-2-phenyl-N-(phenylacetyl)-, methyl ester
CID 3068541
(Z)-1-[(2S,3S)-2,3-diphenylazetidin-1-yl]octadec-9-en-1-one
CID 44386670

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one (CID 11324265) is (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one is C=C[C@@H]1C(=O)N([C@H](COC)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
The InChIKey is ADPCNBOUVRJKTP-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-17-19(16-12-8-5-9-13-16)21(20(17)22)18(14-23-2)15-10-6-4-7-11-15/h3-13,17-19H,1,14H2,2H3/t17-,18+,19-/m0/s1.
What are the key properties of (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one?
(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 11324265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).