4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

C26H34N2O6 — CID 4582902

IUPAC4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCCCN2CCCC2=O)=CC(c2coc3ccccc23)C1CCCO
InChIInChI=1S/C26H34N2O6/c1-2-32-26-19(9-6-15-29)20(21-17-33-22-10-4-3-8-18(21)22)16-23(34-26)25(31)27-12-7-14-28-13-5-11-24(28)30/h3-4,8,10,16-17,19-20,26,29H,2,5-7,9,11-15H2,1H3,(H,27,31)
InChIKeyJXGALPXGZVOODW-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.31
Rot. Bonds11

About 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4582902) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4582902
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCCCN2CCCC2=O)=CC(c2coc3ccccc23)C1CCCO
InChIInChI=1S/C26H34N2O6/c1-2-32-26-19(9-6-15-29)20(21-17-33-22-10-4-3-8-18(21)22)16-23(34-26)25(31)27-12-7-14-28-13-5-11-24(28)30/h3-4,8,10,16-17,19-20,26,29H,2,5-7,9,11-15H2,1H3,(H,27,31)
InChIKeyJXGALPXGZVOODW-UHFFFAOYSA-N
XLogP3.31
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 4582902) is 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)NCCCN2CCCC2=O)=CC(c2coc3ccccc23)C1CCCO.
What is the InChIKey of 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is JXGALPXGZVOODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-2-32-26-19(9-6-15-29)20(21-17-33-22-10-4-3-8-18(21)22)16-23(34-26)25(31)27-12-7-14-28-13-5-11-24(28)30/h3-4,8,10,16-17,19-20,26,29H,2,5-7,9,11-15H2,1H3,(H,27,31).
What are the key properties of 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4582902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).