[2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate

C17H19NO6 — CID 644560

IUPAC[2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCOCCNC(=O)C(OC(=O)c1ccco1)c1ccccc1OC
InChIInChI=1S/C17H19NO6/c1-21-11-9-18-16(19)15(12-6-3-4-7-13(12)22-2)24-17(20)14-8-5-10-23-14/h3-8,10,15H,9,11H2,1-2H3,(H,18,19)
InChIKeyIUTKZYPBQZONAQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.95
Rot. Bonds8

About [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate

[2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 644560) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID644560
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name[2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCOCCNC(=O)C(OC(=O)c1ccco1)c1ccccc1OC
InChIInChI=1S/C17H19NO6/c1-21-11-9-18-16(19)15(12-6-3-4-7-13(12)22-2)24-17(20)14-8-5-10-23-14/h3-8,10,15H,9,11H2,1-2H3,(H,18,19)
InChIKeyIUTKZYPBQZONAQ-UHFFFAOYSA-N
XLogP1.95
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate (CID 644560) is [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate is COCCNC(=O)C(OC(=O)c1ccco1)c1ccccc1OC.
What is the InChIKey of [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is IUTKZYPBQZONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-21-11-9-18-16(19)15(12-6-3-4-7-13(12)22-2)24-17(20)14-8-5-10-23-14/h3-8,10,15H,9,11H2,1-2H3,(H,18,19).
What are the key properties of [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 644560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).