(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine

C18H26N2O2 — CID 67746400

IUPAC(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-5-21-17-15(12-14-10-8-7-9-11-14)19-18(22-6-2)16(20-17)13(3)4/h7-11,13,15-16H,5-6,12H2,1-4H3/t15-,16+/m0/s1
InChIKeyWGFLUQYJHXLTEN-JKSUJKDBSA-N
MW302.42 g/mol
LogP3.51
Rot. Bonds5

About (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine

(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 67746400) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID67746400
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-5-21-17-15(12-14-10-8-7-9-11-14)19-18(22-6-2)16(20-17)13(3)4/h7-11,13,15-16H,5-6,12H2,1-4H3/t15-,16+/m0/s1
InChIKeyWGFLUQYJHXLTEN-JKSUJKDBSA-N
XLogP3.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine (CID 67746400) is (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine is CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is WGFLUQYJHXLTEN-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-21-17-15(12-14-10-8-7-9-11-14)19-18(22-6-2)16(20-17)13(3)4/h7-11,13,15-16H,5-6,12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine?
(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 302.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 67746400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).