1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one

C29H33NO7 — CID 22308056

IUPAC1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCC1(C)OCC(C2OC3OC(C)(C)OC3C2N2C(=O)C(Oc3ccccc3)C2/C=C/c2ccccc2)O1
InChIInChI=1S/C29H33NO7/c1-28(2)32-17-21(35-28)24-22(25-27(34-24)37-29(3,4)36-25)30-20(16-15-18-11-7-5-8-12-18)23(26(30)31)33-19-13-9-6-10-14-19/h5-16,20-25,27H,17H2,1-4H3/b16-15+
InChIKeySIJCESLFPDXFCO-FOCLMDBBSA-N
MW507.58 g/mol
LogP3.75
Rot. Bonds6

About 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one

1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 22308056) has the molecular formula C29H33NO7 and a molecular weight of 507.58 g/mol. Its IUPAC name is 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID22308056
Molecular FormulaC29H33NO7
Molecular Weight507.58 g/mol
Exact Mass507.23
IUPAC Name1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESCC1(C)OCC(C2OC3OC(C)(C)OC3C2N2C(=O)C(Oc3ccccc3)C2/C=C/c2ccccc2)O1
InChIInChI=1S/C29H33NO7/c1-28(2)32-17-21(35-28)24-22(25-27(34-24)37-29(3,4)36-25)30-20(16-15-18-11-7-5-8-12-18)23(26(30)31)33-19-13-9-6-10-14-19/h5-16,20-25,27H,17H2,1-4H3/b16-15+
InChIKeySIJCESLFPDXFCO-FOCLMDBBSA-N
XLogP3.75
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.58
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one with MolForge

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Related Compounds

[3,4,5-triacetyloxy-6-[(3S,4R)-2-oxo-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-1-yl]oxan-2-yl]methyl acetate
CID 11970000
[(2R,3R,4R,5R,6R)-3,4,5-triacetoxy-6-[2-oxo-3-phenoxy-4-[(E)-styryl]azetidin-1-yl]tetrahydropyran-2-yl]methyl acetate
CID 6477373
[3,4,5-Triacetyloxy-6-[2-oxo-3-phenoxy-4-(2-phenylethenyl)azetidin-1-yl]oxan-2-yl]methyl acetate
CID 374113
[3,4,5-triacetyloxy-6-[2-oxo-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-1-yl]oxan-2-yl]methyl acetate
CID 5467365
[3,4,5-triacetyloxy-6-[(3S,4R)-2-oxo-3-phenoxy-4-(2-phenylethenyl)azetidin-1-yl]oxan-2-yl]methyl acetate
CID 6712010
(3S,4R)-1-[(3aS,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 9541933
(3S,4R)-1-[(3aS,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 9541934
(3S,4R)-1-[(3aS,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 9541936
(3S,4R)-1-[(3aS,5R,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 9541938
(3S,4S)-1-benzyl-4-(dimethoxymethyl)-3-phenoxyazetidin-2-one
CID 10853650
[(2R,3R,4S,5R)-2,3-diacetyloxy-5-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-[(E)-2-phenylethenyl]azetidin-1-yl]oxan-4-yl] acetate
CID 11570566
1-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-(2-phenylvinyl)-2-azetidinone
CID 11842241

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 22308056) is 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one is CC1(C)OCC(C2OC3OC(C)(C)OC3C2N2C(=O)C(Oc3ccccc3)C2/C=C/c2ccccc2)O1.
What is the InChIKey of 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is SIJCESLFPDXFCO-FOCLMDBBSA-N. The full InChI is InChI=1S/C29H33NO7/c1-28(2)32-17-21(35-28)24-22(25-27(34-24)37-29(3,4)36-25)30-20(16-15-18-11-7-5-8-12-18)23(26(30)31)33-19-13-9-6-10-14-19/h5-16,20-25,27H,17H2,1-4H3/b16-15+.
What are the key properties of 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one?
1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 507.58 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-phenoxy-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 22308056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).