4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one

C23H25NO6 — CID 56691018

IUPAC4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one
SMILESCC1(C)OC2OC(C3NC(=O)C3Oc3ccccc3)C(OCc3ccccc3)C2O1
InChIInChI=1S/C23H25NO6/c1-23(2)29-20-19(26-13-14-9-5-3-6-10-14)17(28-22(20)30-23)16-18(21(25)24-16)27-15-11-7-4-8-12-15/h3-12,16-20,22H,13H2,1-2H3,(H,24,25)
InChIKeyKXYQLKUVJDJTRD-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.39
Rot. Bonds6

About 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one

4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one (PubChem CID 56691018) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one
PubChem CID56691018
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one
SMILESCC1(C)OC2OC(C3NC(=O)C3Oc3ccccc3)C(OCc3ccccc3)C2O1
InChIInChI=1S/C23H25NO6/c1-23(2)29-20-19(26-13-14-9-5-3-6-10-14)17(28-22(20)30-23)16-18(21(25)24-16)27-15-11-7-4-8-12-15/h3-12,16-20,22H,13H2,1-2H3,(H,24,25)
InChIKeyKXYQLKUVJDJTRD-UHFFFAOYSA-N
XLogP2.39
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one?
The IUPAC name of 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one (CID 56691018) is 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one.
What is the SMILES notation for 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one?
The canonical SMILES for 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one is CC1(C)OC2OC(C3NC(=O)C3Oc3ccccc3)C(OCc3ccccc3)C2O1.
What is the InChIKey of 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one?
The InChIKey is KXYQLKUVJDJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-23(2)29-20-19(26-13-14-9-5-3-6-10-14)17(28-22(20)30-23)16-18(21(25)24-16)27-15-11-7-4-8-12-15/h3-12,16-20,22H,13H2,1-2H3,(H,24,25).
What are the key properties of 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one?
4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one has a molecular weight of 411.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-phenoxyazetidin-2-one is sourced from PubChem (CID 56691018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).