[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate

C19H17NO5 — CID 7194107

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H17NO5/c1-23-15-8-6-13(7-9-15)11-20-18(21)12-24-19(22)17-10-14-4-2-3-5-16(14)25-17/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyGJUBNYRMUHUYFG-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.91
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7194107) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7194107
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H17NO5/c1-23-15-8-6-13(7-9-15)11-20-18(21)12-24-19(22)17-10-14-4-2-3-5-16(14)25-17/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyGJUBNYRMUHUYFG-UHFFFAOYSA-N
XLogP2.91
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7194107) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate is COc1ccc(CNC(=O)COC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is GJUBNYRMUHUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-15-8-6-13(7-9-15)11-20-18(21)12-24-19(22)17-10-14-4-2-3-5-16(14)25-17/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7194107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).