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

C21H37NO7 — CID 6671204

IUPAC[(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)C)[C@H]1CCOCCOCCO
InChIInChI=1S/C21H37NO7/c1-4-28-21-17(5-9-25-13-14-27-12-8-23)18(16(2)3)15-19(29-21)20(24)22-6-10-26-11-7-22/h15-18,21,23H,4-14H2,1-3H3/t17-,18-,21-/m1/s1
InChIKeyHPDPJYHLRWQYKW-DBXWQHBBSA-N
MW415.53 g/mol
LogP1.43
Rot. Bonds12

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

[(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 6671204) has the molecular formula C21H37NO7 and a molecular weight of 415.53 g/mol. Its IUPAC name is [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID6671204
Molecular FormulaC21H37NO7
Molecular Weight415.53 g/mol
Exact Mass415.26
IUPAC Name[(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)C)[C@H]1CCOCCOCCO
InChIInChI=1S/C21H37NO7/c1-4-28-21-17(5-9-25-13-14-27-12-8-23)18(16(2)3)15-19(29-21)20(24)22-6-10-26-11-7-22/h15-18,21,23H,4-14H2,1-3H3/t17-,18-,21-/m1/s1
InChIKeyHPDPJYHLRWQYKW-DBXWQHBBSA-N
XLogP1.43
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.43
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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Related Compounds

((2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl)(4-methylpiperazin-1-yl)methanone
CID 16187181
((2S,4R)-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195772
((2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195784
((2R,4R)-4-tert-butyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195790
[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 16197083
((2S,4R)-4-cyclohexyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195759
((2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 24746698
((2R,4S)-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195810
((2S,4R)-4-cyclohexyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)(4-methylpiperazin-1-yl)methanone
CID 16187150
((2R,4R)-4-tert-butyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl)(4-methylpiperazin-1-yl)methanone
CID 16187182
((2S,3S,4R)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl)(4-methylpiperazin-1-yl)methanone
CID 16187185
((2R,3R,4S)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195771

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 6671204) is [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)C)[C@H]1CCOCCOCCO.
What is the InChIKey of [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is HPDPJYHLRWQYKW-DBXWQHBBSA-N. The full InChI is InChI=1S/C21H37NO7/c1-4-28-21-17(5-9-25-13-14-27-12-8-23)18(16(2)3)15-19(29-21)20(24)22-6-10-26-11-7-22/h15-18,21,23H,4-14H2,1-3H3/t17-,18-,21-/m1/s1.
What are the key properties of [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 415.53 g/mol, XLogP of 1.43, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6671204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).