[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate

C14H20N4O4 — CID 9196523

IUPAC[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cnccn1
InChIInChI=1S/C14H20N4O4/c1-14(2,3)17-11(19)8-18(4)12(20)9-22-13(21)10-7-15-5-6-16-10/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyBQYZAUCGFPWTAH-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.01
Rot. Bonds5

About [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 9196523) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID9196523
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cnccn1
InChIInChI=1S/C14H20N4O4/c1-14(2,3)17-11(19)8-18(4)12(20)9-22-13(21)10-7-15-5-6-16-10/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyBQYZAUCGFPWTAH-UHFFFAOYSA-N
XLogP0.01
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196476
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228937
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 55430048
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009280
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015926
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444223
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511918
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451441
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289508
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chlorobenzoate
CID 9014273

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate (CID 9196523) is [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate is CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is BQYZAUCGFPWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-14(2,3)17-11(19)8-18(4)12(20)9-22-13(21)10-7-15-5-6-16-10/h5-7H,8-9H2,1-4H3,(H,17,19).
What are the key properties of [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 9196523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).