N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide

C18H24N2O5 — CID 22845323

IUPACN-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide
SMILESCC1(C)OCC(CC[C@@H]2CC(=O)N2NC(=O)COc2ccccc2)O1
InChIInChI=1S/C18H24N2O5/c1-18(2)24-11-15(25-18)9-8-13-10-17(22)20(13)19-16(21)12-23-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)/t13-,15?/m1/s1
InChIKeyUZABMRXGWAWZIN-AFYYWNPRSA-N
MW348.40 g/mol
LogP1.63
Rot. Bonds7

About N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide

N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide (PubChem CID 22845323) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide
PubChem CID22845323
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide
SMILESCC1(C)OCC(CC[C@@H]2CC(=O)N2NC(=O)COc2ccccc2)O1
InChIInChI=1S/C18H24N2O5/c1-18(2)24-11-15(25-18)9-8-13-10-17(22)20(13)19-16(21)12-23-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)/t13-,15?/m1/s1
InChIKeyUZABMRXGWAWZIN-AFYYWNPRSA-N
XLogP1.63
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide (CID 22845323) is N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide is CC1(C)OCC(CC[C@@H]2CC(=O)N2NC(=O)COc2ccccc2)O1.
What is the InChIKey of N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide?
The InChIKey is UZABMRXGWAWZIN-AFYYWNPRSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(2)24-11-15(25-18)9-8-13-10-17(22)20(13)19-16(21)12-23-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,21)/t13-,15?/m1/s1.
What are the key properties of N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide?
N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide has a molecular weight of 348.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-4-oxoazetidin-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 22845323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).