(2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C33H40N2O8 — CID 6671940

About (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6671940) has the molecular formula C33H40N2O8 and a molecular weight of 592.69 g/mol. Its IUPAC name is (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6671940
• Molecular Formula: C33H40N2O8
• Molecular Weight: 592.69 g/mol
• Exact Mass: 592.28
• IUPAC Name: (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)[C@@H]1CCOCCOCCO
• InChI: InChI=1S/C33H40N2O8/c1-3-41-33-25(11-14-39-16-17-40-15-13-36)27(28-21-42-30-7-5-4-6-24(28)30)19-31(43-33)32(37)34-12-10-22-20-35-29-9-8-23(38-2)18-26(22)29/h4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37)/t25-,27-,33+/m0/s1
• InChIKey: VIUVOUQTYAKXOR-TZTHSTJISA-N
• XLogP: 4.67
• TPSA: 124.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.69
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 6671940) is (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)[C@@H]1CCOCCOCCO.

What is the InChIKey of (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is VIUVOUQTYAKXOR-TZTHSTJISA-N. The full InChI is InChI=1S/C33H40N2O8/c1-3-41-33-25(11-14-39-16-17-40-15-13-36)27(28-21-42-30-7-5-4-6-24(28)30)19-31(43-33)32(37)34-12-10-22-20-35-29-9-8-23(38-2)18-26(22)29/h4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37)/t25-,27-,33+/m0/s1.

What are the key properties of (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 592.69 g/mol, XLogP of 4.67, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6671940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).