2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide

C16H15NO4 — CID 17310206

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-17(12-5-3-2-4-6-12)16(18)10-19-13-7-8-14-15(9-13)21-11-20-14/h2-9H,10-11H2,1H3
InChIKeyJVOBLGYIUADQDA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.46
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide

2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide (PubChem CID 17310206) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
PubChem CID17310206
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)COc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-17(12-5-3-2-4-6-12)16(18)10-19-13-7-8-14-15(9-13)21-11-20-14/h2-9H,10-11H2,1H3
InChIKeyJVOBLGYIUADQDA-UHFFFAOYSA-N
XLogP2.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-methyl-N-phenyl-2-quinolin-6-yloxyacetamide
CID 112978659
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
CID 38114433
2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
[2-(N-methylanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 43026537
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide (CID 17310206) is 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide is CN(C(=O)COc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide?
The InChIKey is JVOBLGYIUADQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(12-5-3-2-4-6-12)16(18)10-19-13-7-8-14-15(9-13)21-11-20-14/h2-9H,10-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide?
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide has a molecular weight of 285.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 17310206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).