N,2-bis(1,3-benzodioxol-5-yloxy)acetamide

C16H13NO7 — CID 158353921

IUPACN,2-bis(1,3-benzodioxol-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NOc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13NO7/c18-16(7-19-10-1-3-12-14(5-10)22-8-20-12)17-24-11-2-4-13-15(6-11)23-9-21-13/h1-6H,7-9H2,(H,17,18)
InChIKeyTZDZZVNTSMJKGP-UHFFFAOYSA-N
MW331.28 g/mol
LogP1.63
Rot. Bonds5

About N,2-bis(1,3-benzodioxol-5-yloxy)acetamide

N,2-bis(1,3-benzodioxol-5-yloxy)acetamide (PubChem CID 158353921) has the molecular formula C16H13NO7 and a molecular weight of 331.28 g/mol. Its IUPAC name is N,2-bis(1,3-benzodioxol-5-yloxy)acetamide.

Molecular Properties

Compound NameN,2-bis(1,3-benzodioxol-5-yloxy)acetamide
PubChem CID158353921
Molecular FormulaC16H13NO7
Molecular Weight331.28 g/mol
Exact Mass331.07
IUPAC NameN,2-bis(1,3-benzodioxol-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NOc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13NO7/c18-16(7-19-10-1-3-12-14(5-10)22-8-20-12)17-24-11-2-4-13-15(6-11)23-9-21-13/h1-6H,7-9H2,(H,17,18)
InChIKeyTZDZZVNTSMJKGP-UHFFFAOYSA-N
XLogP1.63
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzamide
CID 6493270
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
CID 9137733
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
butyl 2-(1,3-benzodioxol-5-yloxy)acetate
CID 54941607
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417

Frequently Asked Questions

What is the IUPAC name of N,2-bis(1,3-benzodioxol-5-yloxy)acetamide?
The IUPAC name of N,2-bis(1,3-benzodioxol-5-yloxy)acetamide (CID 158353921) is N,2-bis(1,3-benzodioxol-5-yloxy)acetamide.
What is the SMILES notation for N,2-bis(1,3-benzodioxol-5-yloxy)acetamide?
The canonical SMILES for N,2-bis(1,3-benzodioxol-5-yloxy)acetamide is O=C(COc1ccc2c(c1)OCO2)NOc1ccc2c(c1)OCO2.
What is the InChIKey of N,2-bis(1,3-benzodioxol-5-yloxy)acetamide?
The InChIKey is TZDZZVNTSMJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO7/c18-16(7-19-10-1-3-12-14(5-10)22-8-20-12)17-24-11-2-4-13-15(6-11)23-9-21-13/h1-6H,7-9H2,(H,17,18).
What are the key properties of N,2-bis(1,3-benzodioxol-5-yloxy)acetamide?
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide has a molecular weight of 331.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(1,3-benzodioxol-5-yloxy)acetamide is sourced from PubChem (CID 158353921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).