2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide

C12H15NO4 — CID 68777305

IUPAC2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide
SMILESNC(=O)C(OCC1COCO1)c1ccccc1
InChIInChI=1S/C12H15NO4/c13-12(14)11(9-4-2-1-3-5-9)16-7-10-6-15-8-17-10/h1-5,10-11H,6-8H2,(H2,13,14)
InChIKeyIFHQLNKCUVKVAP-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds5

About 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide

2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide (PubChem CID 68777305) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide
PubChem CID68777305
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide
SMILESNC(=O)C(OCC1COCO1)c1ccccc1
InChIInChI=1S/C12H15NO4/c13-12(14)11(9-4-2-1-3-5-9)16-7-10-6-15-8-17-10/h1-5,10-11H,6-8H2,(H2,13,14)
InChIKeyIFHQLNKCUVKVAP-UHFFFAOYSA-N
XLogP0.60
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide?
The IUPAC name of 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide (CID 68777305) is 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide.
What is the SMILES notation for 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide?
The canonical SMILES for 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide is NC(=O)C(OCC1COCO1)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide?
The InChIKey is IFHQLNKCUVKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c13-12(14)11(9-4-2-1-3-5-9)16-7-10-6-15-8-17-10/h1-5,10-11H,6-8H2,(H2,13,14).
What are the key properties of 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide?
2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide has a molecular weight of 237.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-ylmethoxy)-2-phenylacetamide is sourced from PubChem (CID 68777305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).