2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide

C14H20N2O2 — CID 91844201

IUPAC2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(Oc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-11(2)15-14(17)10-16-8-13(9-16)18-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,17)
InChIKeyNQSZSNPVJDUUPK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.27
Rot. Bonds5

About 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide

2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 91844201) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide
PubChem CID91844201
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(Oc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-11(2)15-14(17)10-16-8-13(9-16)18-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,17)
InChIKeyNQSZSNPVJDUUPK-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide (CID 91844201) is 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC(Oc2ccccc2)C1.
What is the InChIKey of 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is NQSZSNPVJDUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)15-14(17)10-16-8-13(9-16)18-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide?
2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 91844201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).