2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide

C15H14N2O4 — CID 3163479

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCc1ccncc1
InChIInChI=1S/C15H14N2O4/c18-15(17-8-11-3-5-16-6-4-11)9-19-12-1-2-13-14(7-12)21-10-20-13/h1-7H,8-10H2,(H,17,18)
InChIKeyXTXDDKXQBXVHDL-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.51
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 3163479) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID3163479
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCc1ccncc1
InChIInChI=1S/C15H14N2O4/c18-15(17-8-11-3-5-16-6-4-11)9-19-12-1-2-13-14(7-12)21-10-20-13/h1-7H,8-10H2,(H,17,18)
InChIKeyXTXDDKXQBXVHDL-UHFFFAOYSA-N
XLogP1.51
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253
2-(1,3-benzodioxol-5-yloxy)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262846

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide (CID 3163479) is 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide is O=C(COc1ccc2c(c1)OCO2)NCc1ccncc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is XTXDDKXQBXVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15(17-8-11-3-5-16-6-4-11)9-19-12-1-2-13-14(7-12)21-10-20-13/h1-7H,8-10H2,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 286.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 3163479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).