benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate

C21H22N2O3 — CID 22284234

IUPACbenzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate
SMILESCC(C)C1C(=O)NC(c2ccccc2)=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(2)19-20(24)22-18(17-11-7-4-8-12-17)13-23(19)21(25)26-14-16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3,(H,22,24)
InChIKeyWLBJPYSOCYEGSL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.78
Rot. Bonds4

About benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate

benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate (PubChem CID 22284234) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate
PubChem CID22284234
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namebenzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate
SMILESCC(C)C1C(=O)NC(c2ccccc2)=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-15(2)19-20(24)22-18(17-11-7-4-8-12-17)13-23(19)21(25)26-14-16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3,(H,22,24)
InChIKeyWLBJPYSOCYEGSL-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate?
The IUPAC name of benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate (CID 22284234) is benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate.
What is the SMILES notation for benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate?
The canonical SMILES for benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate is CC(C)C1C(=O)NC(c2ccccc2)=CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate?
The InChIKey is WLBJPYSOCYEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(2)19-20(24)22-18(17-11-7-4-8-12-17)13-23(19)21(25)26-14-16-9-5-3-6-10-16/h3-13,15,19H,14H2,1-2H3,(H,22,24).
What are the key properties of benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate?
benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-6-phenyl-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate is sourced from PubChem (CID 22284234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).