methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate

C15H15NO5 — CID 2814720

IUPACmethyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C15H15NO5/c1-10(17)16-11-3-5-12(6-4-11)20-9-13-7-8-14(21-13)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyHXMASFOMCDHEIE-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.60
Rot. Bonds5

About methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate

methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate (PubChem CID 2814720) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate
PubChem CID2814720
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C15H15NO5/c1-10(17)16-11-3-5-12(6-4-11)20-9-13-7-8-14(21-13)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyHXMASFOMCDHEIE-UHFFFAOYSA-N
XLogP2.60
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate (CID 2814720) is methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(NC(C)=O)cc2)o1.
What is the InChIKey of methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate?
The InChIKey is HXMASFOMCDHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10(17)16-11-3-5-12(6-4-11)20-9-13-7-8-14(21-13)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate?
methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 2814720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).