[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C19H23N3O4 — CID 2337072

IUPAC[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23N3O4/c1-12-9-21-15(10-20-12)18(24)26-11-17(23)22-14-8-13(19(2,3)4)6-7-16(14)25-5/h6-10H,11H2,1-5H3,(H,22,23)
InChIKeyMZVBIDNAIHUAQV-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.89
Rot. Bonds5

About [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2337072) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2337072
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23N3O4/c1-12-9-21-15(10-20-12)18(24)26-11-17(23)22-14-8-13(19(2,3)4)6-7-16(14)25-5/h6-10H,11H2,1-5H3,(H,22,23)
InChIKeyMZVBIDNAIHUAQV-UHFFFAOYSA-N
XLogP2.89
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2336561
[2-Oxo-2-(4-phenylmethoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2338227
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2346513
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2352910
[2-Oxo-2-(4-phenoxyanilino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2355446
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2356467
[2-(2-Methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
N-[2-(3-methylphenoxy)phenyl]pyrazine-2-carboxamide
CID 2456913
[2-(2-Ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate
CID 24980782
[2-[4-[(4-Methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524529
[2-(5-Tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2335772

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2337072) is [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cnc(C)cn1.
What is the InChIKey of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is MZVBIDNAIHUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-9-21-15(10-20-12)18(24)26-11-17(23)22-14-8-13(19(2,3)4)6-7-16(14)25-5/h6-10H,11H2,1-5H3,(H,22,23).
What are the key properties of [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2337072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).