ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate

C22H21NO7 — CID 8535454

IUPACethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccccc1OC
InChIInChI=1S/C22H21NO7/c1-3-28-22(26)20-16(14-8-4-7-11-18(14)30-20)13-29-19(24)12-23-21(25)15-9-5-6-10-17(15)27-2/h4-11H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyIDFUMZHUBLUOAT-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.09
Rot. Bonds8

About ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 8535454) has the molecular formula C22H21NO7 and a molecular weight of 411.41 g/mol. Its IUPAC name is ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID8535454
Molecular FormulaC22H21NO7
Molecular Weight411.41 g/mol
Exact Mass411.13
IUPAC Nameethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccccc1OC
InChIInChI=1S/C22H21NO7/c1-3-28-22(26)20-16(14-8-4-7-11-18(14)30-20)13-29-19(24)12-23-21(25)15-9-5-6-10-17(15)27-2/h4-11H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyIDFUMZHUBLUOAT-UHFFFAOYSA-N
XLogP3.09
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate (CID 8535454) is ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccccc1OC.
What is the InChIKey of ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is IDFUMZHUBLUOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO7/c1-3-28-22(26)20-16(14-8-4-7-11-18(14)30-20)13-29-19(24)12-23-21(25)15-9-5-6-10-17(15)27-2/h4-11H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 411.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[(2-methoxybenzoyl)amino]acetyl]oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8535454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).