[(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

About [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

[(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 6671289) has the molecular formula C26H35NO8 and a molecular weight of 489.57 g/mol. Its IUPAC name is [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name	[(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID	6671289
Molecular Formula	C26H35NO8
Molecular Weight	489.57 g/mol
Exact Mass	489.24
IUPAC Name	[(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILES	CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2coc3ccccc23)[C@H]1CCOCCOCCO
InChI	InChI=1S/C26H35NO8/c1-2-33-26-20(7-11-30-15-16-32-14-10-28)21(22-18-34-23-6-4-3-5-19(22)23)17-24(35-26)25(29)27-8-12-31-13-9-27/h3-6,17-18,20-21,26,28H,2,7-16H2,1H3/t20-,21+,26-/m1/s1
InChIKey	CCAUXFFFPSVCSK-YZIHRLCOSA-N
XLogP	2.68
TPSA	99.83 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	12
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.57
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 6671289) is [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

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

The canonical SMILES for [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2coc3ccccc23)[C@H]1CCOCCOCCO.

What is the InChIKey of [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?

The InChIKey is CCAUXFFFPSVCSK-YZIHRLCOSA-N. The full InChI is InChI=1S/C26H35NO8/c1-2-33-26-20(7-11-30-15-16-32-14-10-28)21(22-18-34-23-6-4-3-5-19(22)23)17-24(35-26)25(29)27-8-12-31-13-9-27/h3-6,17-18,20-21,26,28H,2,7-16H2,1H3/t20-,21+,26-/m1/s1.

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

[(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 489.57 g/mol, XLogP of 2.68, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6671289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).