ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate

C14H24N2O4 — CID 13103673

IUPACethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OCC)C(C(C)C)N=C1OCC
InChIInChI=1S/C14H24N2O4/c1-6-18-12-10(9(4)5)15-13(19-7-2)11(16-12)14(17)20-8-3/h9-11H,6-8H2,1-5H3
InChIKeyZMTZCKCEAFOBFZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds5

About ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate

ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate (PubChem CID 13103673) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
PubChem CID13103673
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
SMILESCCOC(=O)C1N=C(OCC)C(C(C)C)N=C1OCC
InChIInChI=1S/C14H24N2O4/c1-6-18-12-10(9(4)5)15-13(19-7-2)11(16-12)14(17)20-8-3/h9-11H,6-8H2,1-5H3
InChIKeyZMTZCKCEAFOBFZ-UHFFFAOYSA-N
XLogP1.83
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 10924088
Ethyl 3,6-diethoxy-5-methyl-2,5-dihydropyrazine-2-carboxylate
CID 342004
Malonic acid, 2-[1-(carbethoxymethylimino)ethyl]-, diethyl ester
CID 597690
(S)-Methyl 2-isopropyl-4,5-dihydrooxazole-4-carboxylate
CID 45096525
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881965
2-[1-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 53983662
Methyl 2-butan-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 58443529
Methyl 2-cyclopropyl-4,5-dihydrooxazole-4-carboxylate
CID 67452133
ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 69167302
Ethyl 3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 69167303
methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 132507103
propan-2-yl (4S)-2-[1-[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 140032930

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The IUPAC name of ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate (CID 13103673) is ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The canonical SMILES for ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate is CCOC(=O)C1N=C(OCC)C(C(C)C)N=C1OCC.
What is the InChIKey of ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
The InChIKey is ZMTZCKCEAFOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-6-18-12-10(9(4)5)15-13(19-7-2)11(16-12)14(17)20-8-3/h9-11H,6-8H2,1-5H3.
What are the key properties of ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate?
ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate is sourced from PubChem (CID 13103673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).