ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate

C20H19NO6 — CID 3241101

IUPACethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C20H19NO6/c1-4-26-20(23)18-16(12-8-5-6-10-14(12)27-18)21-19(22)13-9-7-11-15(24-2)17(13)25-3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyOJGHPQIGVYACKI-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.88
Rot. Bonds6

About ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 3241101) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
PubChem CID3241101
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Nameethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C20H19NO6/c1-4-26-20(23)18-16(12-8-5-6-10-14(12)27-18)21-19(22)13-9-7-11-15(24-2)17(13)25-3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyOJGHPQIGVYACKI-UHFFFAOYSA-N
XLogP3.88
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate (CID 3241101) is ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1OC.
What is the InChIKey of ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is OJGHPQIGVYACKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-4-26-20(23)18-16(12-8-5-6-10-14(12)27-18)21-19(22)13-9-7-11-15(24-2)17(13)25-3/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,3-dimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 3241101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).