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

C19H33NO5 — CID 24746698

IUPAC[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO
InChIInChI=1S/C19H33NO5/c1-5-24-18-14(7-6-10-21)15(19(2,3)4)13-16(25-18)17(22)20-8-11-23-12-9-20/h13-15,18,21H,5-12H2,1-4H3/t14-,15+,18-/m1/s1
InChIKeyKZJGOLMVXNTDDK-RVKKMQEKSA-N
MW355.48 g/mol
LogP2.17
Rot. Bonds6

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

[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 24746698) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID24746698
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO
InChIInChI=1S/C19H33NO5/c1-5-24-18-14(7-6-10-21)15(19(2,3)4)13-16(25-18)17(22)20-8-11-23-12-9-20/h13-15,18,21H,5-12H2,1-4H3/t14-,15+,18-/m1/s1
InChIKeyKZJGOLMVXNTDDK-RVKKMQEKSA-N
XLogP2.17
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 24746698) is [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-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)[C@H]1CCCO.
What is the InChIKey of [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is KZJGOLMVXNTDDK-RVKKMQEKSA-N. The full InChI is InChI=1S/C19H33NO5/c1-5-24-18-14(7-6-10-21)15(19(2,3)4)13-16(25-18)17(22)20-8-11-23-12-9-20/h13-15,18,21H,5-12H2,1-4H3/t14-,15+,18-/m1/s1.
What are the key properties of [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 355.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24746698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).