N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide

C14H16N2O2 — CID 54468185

IUPACN-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide
SMILESCC=CN1CC(NC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-2-8-16-10-12(14(16)18)15-13(17)9-11-6-4-3-5-7-11/h2-8,12H,9-10H2,1H3,(H,15,17)
InChIKeyXGLCYHROFLVGTG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.09
Rot. Bonds4

About N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide

N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide (PubChem CID 54468185) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide
PubChem CID54468185
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide
SMILESCC=CN1CC(NC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-2-8-16-10-12(14(16)18)15-13(17)9-11-6-4-3-5-7-11/h2-8,12H,9-10H2,1H3,(H,15,17)
InChIKeyXGLCYHROFLVGTG-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide?
The IUPAC name of N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide (CID 54468185) is N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide is CC=CN1CC(NC(=O)Cc2ccccc2)C1=O.
What is the InChIKey of N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide?
The InChIKey is XGLCYHROFLVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-8-16-10-12(14(16)18)15-13(17)9-11-6-4-3-5-7-11/h2-8,12H,9-10H2,1H3,(H,15,17).
What are the key properties of N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide?
N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide has a molecular weight of 244.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-prop-1-enylazetidin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 54468185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).