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

C18H31NO5 — CID 6671044

IUPAC[(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-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]1CCCO
InChIInChI=1S/C18H31NO5/c1-4-23-18-14(6-5-9-20)15(13(2)3)12-16(24-18)17(21)19-7-10-22-11-8-19/h12-15,18,20H,4-11H2,1-3H3/t14-,15-,18-/m1/s1
InChIKeyVKRQMMYAJRAMKH-IIDMSEBBSA-N
MW341.45 g/mol
LogP1.78
Rot. Bonds7

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

[(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 6671044) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID6671044
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Name[(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-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]1CCCO
InChIInChI=1S/C18H31NO5/c1-4-23-18-14(6-5-9-20)15(13(2)3)12-16(24-18)17(21)19-7-10-22-11-8-19/h12-15,18,20H,4-11H2,1-3H3/t14-,15-,18-/m1/s1
InChIKeyVKRQMMYAJRAMKH-IIDMSEBBSA-N
XLogP1.78
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
CID 6668764
[(2R,3S,4S)-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
CID 23847065
[(2S,3R,4R)-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
CID 23847135
aziridin-1-yl-[(2R,3R,4S)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone
CID 23789568
azocan-1-yl-[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone
CID 23986474
[(2R,3S,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 23760615
prop-2-enyl (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxylate
CID 6667238
[(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
CID 23930869
3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one
CID 6671488
[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
CID 23958648
[(2S,3S,4R)-4-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
CID 23789642

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 6671044) is [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-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-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-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]1CCCO.
What is the InChIKey of [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is VKRQMMYAJRAMKH-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H31NO5/c1-4-23-18-14(6-5-9-20)15(13(2)3)12-16(24-18)17(21)19-7-10-22-11-8-19/h12-15,18,20H,4-11H2,1-3H3/t14-,15-,18-/m1/s1.
What are the key properties of [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 341.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6671044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).