[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate

C19H23N3O4 — CID 9196636

IUPAC[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCC(C)(C)c1ccc(OCCNC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)14-4-6-15(7-5-14)25-11-10-22-17(23)13-26-18(24)16-12-20-8-9-21-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyIUGZPGDFLVFPRR-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.13
Rot. Bonds7

About [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196636) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196636
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCC(C)(C)c1ccc(OCCNC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)14-4-6-15(7-5-14)25-11-10-22-17(23)13-26-18(24)16-12-20-8-9-21-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyIUGZPGDFLVFPRR-UHFFFAOYSA-N
XLogP2.13
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702375
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541737
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346731
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199840
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8566829
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] pyrazine-2-carboxylate
CID 2628622
N-[2-(4-methylphenoxy)ethyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174747

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196636) is [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate is CC(C)(C)c1ccc(OCCNC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is IUGZPGDFLVFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)14-4-6-15(7-5-14)25-11-10-22-17(23)13-26-18(24)16-12-20-8-9-21-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).