tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate

C19H26N2O3 — CID 102241004

IUPACtert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate
SMILESCC1N=C(c2ccccc2)[C@@H](C(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H26N2O3/c1-12(2)16-15(14-10-8-7-9-11-14)20-13(3)17(22)21(16)18(23)24-19(4,5)6/h7-13,16H,1-6H3/t13?,16-/m1/s1
InChIKeyFFZOQKUSYQYSBQ-FQNRMIAFSA-N
MW330.43 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate

tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate (PubChem CID 102241004) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate
PubChem CID102241004
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate
SMILESCC1N=C(c2ccccc2)[C@@H](C(C)C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C19H26N2O3/c1-12(2)16-15(14-10-8-7-9-11-14)20-13(3)17(22)21(16)18(23)24-19(4,5)6/h7-13,16H,1-6H3/t13?,16-/m1/s1
InChIKeyFFZOQKUSYQYSBQ-FQNRMIAFSA-N
XLogP3.67
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate with MolForge

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Related Compounds

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CID 101112857
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CID 10949759
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tert-butyl (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 86596335
tert-butyl (2S)-2,4,5-triphenyl-2,3-dihydropyrrole-1-carboxylate
CID 102080261
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate (CID 102241004) is tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate is CC1N=C(c2ccccc2)[C@@H](C(C)C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate?
The InChIKey is FFZOQKUSYQYSBQ-FQNRMIAFSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)16-15(14-10-8-7-9-11-14)20-13(3)17(22)21(16)18(23)24-19(4,5)6/h7-13,16H,1-6H3/t13?,16-/m1/s1.
What are the key properties of tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate?
tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-5-methyl-6-oxo-3-phenyl-2-propan-2-yl-2,5-dihydropyrazine-1-carboxylate is sourced from PubChem (CID 102241004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).