N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide

C10H11NO4 — CID 837107

IUPACN-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C10H11NO4/c1-13-5-10(12)11-7-2-3-8-9(4-7)15-6-14-8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyLSZCHCWSOVTODS-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.00
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide

N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide (PubChem CID 837107) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
PubChem CID837107
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C10H11NO4/c1-13-5-10(12)11-7-2-3-8-9(4-7)15-6-14-8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyLSZCHCWSOVTODS-UHFFFAOYSA-N
XLogP1.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide (CID 837107) is N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide?
The InChIKey is LSZCHCWSOVTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-13-5-10(12)11-7-2-3-8-9(4-7)15-6-14-8/h2-4H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide has a molecular weight of 209.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide is sourced from PubChem (CID 837107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).