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

C24H35NO7 — CID 6668548

IUPAC[(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccccc2)[C@@H]1CCOCCOCCO
InChIInChI=1S/C24H35NO7/c1-2-31-24-20(8-12-28-16-17-30-15-11-26)21(19-6-4-3-5-7-19)18-22(32-24)23(27)25-9-13-29-14-10-25/h3-7,18,20-21,24,26H,2,8-17H2,1H3/t20-,21-,24-/m0/s1
InChIKeyHEQTYIZBYFZXGN-HFMPRLQTSA-N
MW449.54 g/mol
LogP1.94
Rot. Bonds12

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

[(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 6668548) has the molecular formula C24H35NO7 and a molecular weight of 449.54 g/mol. Its IUPAC name is [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID6668548
Molecular FormulaC24H35NO7
Molecular Weight449.54 g/mol
Exact Mass449.24
IUPAC Name[(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccccc2)[C@@H]1CCOCCOCCO
InChIInChI=1S/C24H35NO7/c1-2-31-24-20(8-12-28-16-17-30-15-11-26)21(19-6-4-3-5-7-19)18-22(32-24)23(27)25-9-13-29-14-10-25/h3-7,18,20-21,24,26H,2,8-17H2,1H3/t20-,21-,24-/m0/s1
InChIKeyHEQTYIZBYFZXGN-HFMPRLQTSA-N
XLogP1.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 6668548) is [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccccc2)[C@@H]1CCOCCOCCO.
What is the InChIKey of [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is HEQTYIZBYFZXGN-HFMPRLQTSA-N. The full InChI is InChI=1S/C24H35NO7/c1-2-31-24-20(8-12-28-16-17-30-15-11-26)21(19-6-4-3-5-7-19)18-22(32-24)23(27)25-9-13-29-14-10-25/h3-7,18,20-21,24,26H,2,8-17H2,1H3/t20-,21-,24-/m0/s1.
What are the key properties of [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 449.54 g/mol, XLogP of 1.94, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6668548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).