(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one

C17H24N2O3 — CID 11088032

IUPAC(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one
SMILESCCOC1=N[C@@H]([C@@H](C)O)C(=O)N([C@@H](C)c2ccccc2)[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-5-22-16-12(3)19(17(21)15(18-16)13(4)20)11(2)14-9-7-6-8-10-14/h6-13,15,20H,5H2,1-4H3/t11-,12+,13+,15-/m0/s1
InChIKeyNAISCHAEWGEQMP-JLNYLFASSA-N
MW304.39 g/mol
LogP2.16
Rot. Bonds4

About (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one

(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one (PubChem CID 11088032) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one.

Molecular Properties

Compound Name(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one
PubChem CID11088032
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one
SMILESCCOC1=N[C@@H]([C@@H](C)O)C(=O)N([C@@H](C)c2ccccc2)[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-5-22-16-12(3)19(17(21)15(18-16)13(4)20)11(2)14-9-7-6-8-10-14/h6-13,15,20H,5H2,1-4H3/t11-,12+,13+,15-/m0/s1
InChIKeyNAISCHAEWGEQMP-JLNYLFASSA-N
XLogP2.16
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one?
The IUPAC name of (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one (CID 11088032) is (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one.
What is the SMILES notation for (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one?
The canonical SMILES for (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one is CCOC1=N[C@@H]([C@@H](C)O)C(=O)N([C@@H](C)c2ccccc2)[C@@H]1C.
What is the InChIKey of (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one?
The InChIKey is NAISCHAEWGEQMP-JLNYLFASSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-22-16-12(3)19(17(21)15(18-16)13(4)20)11(2)14-9-7-6-8-10-14/h6-13,15,20H,5H2,1-4H3/t11-,12+,13+,15-/m0/s1.
What are the key properties of (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one?
(2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-6-ethoxy-2-[(1R)-1-hydroxyethyl]-5-methyl-4-[(1S)-1-phenylethyl]-2,5-dihydropyrazin-3-one is sourced from PubChem (CID 11088032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).