(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine

C19H28N2O2 — CID 132536603

IUPAC(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine
SMILESCCOC1=N[C@](C)(CC)C(OCc2ccccc2)=N[C@H]1C(C)C
InChIInChI=1S/C19H28N2O2/c1-6-19(5)18(23-13-15-11-9-8-10-12-15)20-16(14(3)4)17(21-19)22-7-2/h8-12,14,16H,6-7,13H2,1-5H3/t16-,19+/m0/s1
InChIKeySXJYCMFRWTWKOT-QFBILLFUSA-N
MW316.44 g/mol
LogP4.24
Rot. Bonds5

About (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine

(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine (PubChem CID 132536603) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine
PubChem CID132536603
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine
SMILESCCOC1=N[C@](C)(CC)C(OCc2ccccc2)=N[C@H]1C(C)C
InChIInChI=1S/C19H28N2O2/c1-6-19(5)18(23-13-15-11-9-8-10-12-15)20-16(14(3)4)17(21-19)22-7-2/h8-12,14,16H,6-7,13H2,1-5H3/t16-,19+/m0/s1
InChIKeySXJYCMFRWTWKOT-QFBILLFUSA-N
XLogP4.24
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 289239
2-Phenyl-2-oxazoline
CID 244030
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CID 671208
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
Mls002667700
CID 244135
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
(4R)-2-(2-(Diphenylphosphanyl)phenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 2734144
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
N'-(2-(Benzyloxy)ethyl)-N,N-dimethylacetamidine
CID 58602
(4S)-2-(2-(Diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazoline
CID 9807779

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine?
The IUPAC name of (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine (CID 132536603) is (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine.
What is the SMILES notation for (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine?
The canonical SMILES for (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine is CCOC1=N[C@](C)(CC)C(OCc2ccccc2)=N[C@H]1C(C)C.
What is the InChIKey of (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine?
The InChIKey is SXJYCMFRWTWKOT-QFBILLFUSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-6-19(5)18(23-13-15-11-9-8-10-12-15)20-16(14(3)4)17(21-19)22-7-2/h8-12,14,16H,6-7,13H2,1-5H3/t16-,19+/m0/s1.
What are the key properties of (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine?
(2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine has a molecular weight of 316.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3-ethoxy-5-ethyl-5-methyl-6-phenylmethoxy-2-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 132536603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).