3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

C21H22N2O5 — CID 1045996

IUPAC3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC
InChIInChI=1S/C21H22N2O5/c1-3-26-16-10-9-13(11-17(16)27-4-2)12-18(24)23-19-14-7-5-6-8-15(14)28-20(19)21(22)25/h5-11H,3-4,12H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyARRPMFYEKBZOMJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.51
Rot. Bonds8

About 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 1045996) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID1045996
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC
InChIInChI=1S/C21H22N2O5/c1-3-26-16-10-9-13(11-17(16)27-4-2)12-18(24)23-19-14-7-5-6-8-15(14)28-20(19)21(22)25/h5-11H,3-4,12H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyARRPMFYEKBZOMJ-UHFFFAOYSA-N
XLogP3.51
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 1045996) is 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC.
What is the InChIKey of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is ARRPMFYEKBZOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-26-16-10-9-13(11-17(16)27-4-2)12-18(24)23-19-14-7-5-6-8-15(14)28-20(19)21(22)25/h5-11H,3-4,12H2,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1045996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).