(2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine

C20H28N2O2 — CID 100984932

IUPAC(2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine
SMILESCOC1=N[C@H](CC2CCCCC2)C(OC)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-23-19-17(13-15-9-5-3-6-10-15)22-20(24-2)18(21-19)14-16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,4,7-8,11-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyOGNDHNRTLOBNTJ-ZWKOTPCHSA-N
MW328.46 g/mol
LogP4.04
Rot. Bonds4

About (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine

(2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine (PubChem CID 100984932) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine
PubChem CID100984932
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine
SMILESCOC1=N[C@H](CC2CCCCC2)C(OC)=N[C@H]1Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-23-19-17(13-15-9-5-3-6-10-15)22-20(24-2)18(21-19)14-16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,4,7-8,11-14H2,1-2H3/t17-,18+/m0/s1
InChIKeyOGNDHNRTLOBNTJ-ZWKOTPCHSA-N
XLogP4.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 697917
4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 3782418

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine?
The IUPAC name of (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine (CID 100984932) is (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine?
The canonical SMILES for (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine is COC1=N[C@H](CC2CCCCC2)C(OC)=N[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine?
The InChIKey is OGNDHNRTLOBNTJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-23-19-17(13-15-9-5-3-6-10-15)22-20(24-2)18(21-19)14-16-11-7-4-8-12-16/h3,5-6,9-10,16-18H,4,7-8,11-14H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine?
(2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine has a molecular weight of 328.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-benzyl-5-(cyclohexylmethyl)-3,6-dimethoxy-2,5-dihydropyrazine is sourced from PubChem (CID 100984932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).