(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one

C20H19NO2 — CID 102241606

IUPAC(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one
SMILESC=C[C@@H]1C(=O)N(C(C)c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-3-17-18(19(22)16-12-8-5-9-13-16)21(20(17)23)14(2)15-10-6-4-7-11-15/h3-14,17-18H,1H2,2H3/t14?,17-,18-/m0/s1
InChIKeyWFTBSWPKIQVFAD-UNWPMLMHSA-N
MW305.38 g/mol
LogP3.64
Rot. Bonds5

About (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one

(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one (PubChem CID 102241606) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one
PubChem CID102241606
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one
SMILESC=C[C@@H]1C(=O)N(C(C)c2ccccc2)[C@@H]1C(=O)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-3-17-18(19(22)16-12-8-5-9-13-16)21(20(17)23)14(2)15-10-6-4-7-11-15/h3-14,17-18H,1H2,2H3/t14?,17-,18-/m0/s1
InChIKeyWFTBSWPKIQVFAD-UNWPMLMHSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.64
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

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CID 519663
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Alpha-D2PV
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4-benzoyl-N,N-diethylbenzamide
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N-cyclohexyl-N-methyl-4-phenylbenzamide
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[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437837
[1-(4-Methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one
CID 16037828
(2,6-Difluoro-phenyl)-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-methanone
CID 1438295
4-benzoyl-N-butan-2-ylbenzamide
CID 4877194

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one (CID 102241606) is (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one is C=C[C@@H]1C(=O)N(C(C)c2ccccc2)[C@@H]1C(=O)c1ccccc1.
What is the InChIKey of (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one?
The InChIKey is WFTBSWPKIQVFAD-UNWPMLMHSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-17-18(19(22)16-12-8-5-9-13-16)21(20(17)23)14(2)15-10-6-4-7-11-15/h3-14,17-18H,1H2,2H3/t14?,17-,18-/m0/s1.
What are the key properties of (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one?
(3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-benzoyl-3-ethenyl-1-(1-phenylethyl)azetidin-2-one is sourced from PubChem (CID 102241606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).