2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide

C22H23N3O6 — CID 20925927

IUPAC2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
SMILESCCOCC(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12
InChIInChI=1S/C22H23N3O6/c1-2-29-14-18(26)23-19-15-6-3-4-7-16(15)31-20(19)22(28)25-11-9-24(10-12-25)21(27)17-8-5-13-30-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)
InChIKeyZEXNKXIVDNLHMR-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.60
Rot. Bonds6

About 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide

2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide (PubChem CID 20925927) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
PubChem CID20925927
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
SMILESCCOCC(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12
InChIInChI=1S/C22H23N3O6/c1-2-29-14-18(26)23-19-15-6-3-4-7-16(15)31-20(19)22(28)25-11-9-24(10-12-25)21(27)17-8-5-13-30-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)
InChIKeyZEXNKXIVDNLHMR-UHFFFAOYSA-N
XLogP2.60
TPSA105.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methoxybenzamide
CID 20925969
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-3-nitrobenzamide
CID 46271164
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide
CID 20925820
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide
CID 20925775
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide (CID 20925927) is 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide is CCOCC(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)oc2ccccc12.
What is the InChIKey of 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
The InChIKey is ZEXNKXIVDNLHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-2-29-14-18(26)23-19-15-6-3-4-7-16(15)31-20(19)22(28)25-11-9-24(10-12-25)21(27)17-8-5-13-30-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 20925927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).