N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide

C16H15NO5 — CID 835559

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15NO5/c1-19-12-3-5-13(6-4-12)20-9-16(18)17-11-2-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyAAQHUPAEJMTLMW-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.44
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 835559) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID835559
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15NO5/c1-19-12-3-5-13(6-4-12)20-9-16(18)17-11-2-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyAAQHUPAEJMTLMW-UHFFFAOYSA-N
XLogP2.44
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide (CID 835559) is N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is AAQHUPAEJMTLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-19-12-3-5-13(6-4-12)20-9-16(18)17-11-2-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 835559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).