2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide

C13H13NO4 — CID 168526436

IUPAC2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2ccco2)ccc1OCC(N)=O
InChIInChI=1S/C13H13NO4/c1-16-12-7-9(10-3-2-6-17-10)4-5-11(12)18-8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyCIGGQMNOEDTSSJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide

2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide (PubChem CID 168526436) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
PubChem CID168526436
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(-c2ccco2)ccc1OCC(N)=O
InChIInChI=1S/C13H13NO4/c1-16-12-7-9(10-3-2-6-17-10)4-5-11(12)18-8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyCIGGQMNOEDTSSJ-UHFFFAOYSA-N
XLogP1.82
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide (CID 168526436) is 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide is COc1cc(-c2ccco2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide?
The InChIKey is CIGGQMNOEDTSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-16-12-7-9(10-3-2-6-17-10)4-5-11(12)18-8-13(14)15/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide?
2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide has a molecular weight of 247.25 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 168526436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).