[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C18H21N3O3 — CID 2365500

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C18H21N3O3/c1-13(2)21(11-15-7-5-4-6-8-15)17(22)12-24-18(23)16-10-19-14(3)9-20-16/h4-10,13H,11-12H2,1-3H3
InChIKeyCWXOWVFQMIEFFO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.38
Rot. Bonds6

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2365500) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2365500
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C18H21N3O3/c1-13(2)21(11-15-7-5-4-6-8-15)17(22)12-24-18(23)16-10-19-14(3)9-20-16/h4-10,13H,11-12H2,1-3H3
InChIKeyCWXOWVFQMIEFFO-UHFFFAOYSA-N
XLogP2.38
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2365500) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is CWXOWVFQMIEFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(2)21(11-15-7-5-4-6-8-15)17(22)12-24-18(23)16-10-19-14(3)9-20-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2365500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).