ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane

C14H28N2O4 — CID 143718669

IUPACethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane
SMILESCC.CCC.CCOC(=O)C1N=C(OC)CN=C1OC
InChIInChI=1S/C9H14N2O4.C3H8.C2H6/c1-4-15-9(12)7-8(14-3)10-5-6(11-7)13-2;1-3-2;1-2/h7H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyNJBNFIXZNZMYRI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.46
Rot. Bonds2

About ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane

ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane (PubChem CID 143718669) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane.

Molecular Properties

Compound Nameethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane
PubChem CID143718669
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nameethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane
SMILESCC.CCC.CCOC(=O)C1N=C(OC)CN=C1OC
InChIInChI=1S/C9H14N2O4.C3H8.C2H6/c1-4-15-9(12)7-8(14-3)10-5-6(11-7)13-2;1-3-2;1-2/h7H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyNJBNFIXZNZMYRI-UHFFFAOYSA-N
XLogP2.46
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethoxycarbonyl-2-methyl-2-oxazoline
CID 538229
Methyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 10844497
ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 10924088
methyl (4S)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928452
(2S)-Ethyl-4-methyl-3,5-oxazolinecarboxylate
CID 10953777
Methyl 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 75480505
Ethyl 3,6-diethoxy-5-methyl-2,5-dihydropyrazine-2-carboxylate
CID 342004
(S)-Methyl 2-isopropyl-4,5-dihydrooxazole-4-carboxylate
CID 45096525
Diethyl 2-(1-ethoxyethylideneamino)propanedioate
CID 11481965
Methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 12296658
Ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 13103673
methyl (4R)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 29928454

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane?
The IUPAC name of ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane (CID 143718669) is ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane.
What is the SMILES notation for ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane?
The canonical SMILES for ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane is CC.CCC.CCOC(=O)C1N=C(OC)CN=C1OC.
What is the InChIKey of ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane?
The InChIKey is NJBNFIXZNZMYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4.C3H8.C2H6/c1-4-15-9(12)7-8(14-3)10-5-6(11-7)13-2;1-3-2;1-2/h7H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane?
ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane has a molecular weight of 288.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3,6-dimethoxy-2,5-dihydropyrazine-2-carboxylate;propane is sourced from PubChem (CID 143718669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).