2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen

C13H19NO5 — CID 171659187

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
SMILESCC(C)OCNC(=O)COc1ccc2c(c1)OCO2.[H][H]
InChIInChI=1S/C13H17NO5.H2/c1-9(2)17-7-14-13(15)6-16-10-3-4-11-12(5-10)19-8-18-11;/h3-5,9H,6-8H2,1-2H3,(H,14,15);1H
InChIKeyCDGXGQPQKGGONZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.54
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen

2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen (PubChem CID 171659187) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
PubChem CID171659187
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
SMILESCC(C)OCNC(=O)COc1ccc2c(c1)OCO2.[H][H]
InChIInChI=1S/C13H17NO5.H2/c1-9(2)17-7-14-13(15)6-16-10-3-4-11-12(5-10)19-8-18-11;/h3-5,9H,6-8H2,1-2H3,(H,14,15);1H
InChIKeyCDGXGQPQKGGONZ-UHFFFAOYSA-N
XLogP1.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
CID 9137733
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-cyanophenoxy)acetamide
CID 47930494
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 47930490
2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 165341655
N-(1,3-benzodioxol-5-yl)-2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]propanamide
CID 55598497

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen (CID 171659187) is 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen is CC(C)OCNC(=O)COc1ccc2c(c1)OCO2.[H][H].
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen?
The InChIKey is CDGXGQPQKGGONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5.H2/c1-9(2)17-7-14-13(15)6-16-10-3-4-11-12(5-10)19-8-18-11;/h3-5,9H,6-8H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen?
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen has a molecular weight of 269.30 g/mol, XLogP of 1.54, 6 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-(propan-2-yloxymethyl)acetamide;molecular hydrogen is sourced from PubChem (CID 171659187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).