2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate

C18H25N3O5 — CID 166205810

IUPAC2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate
SMILESCOC(=O)c1cnc(C(=O)OCC(=O)N(C(C)C)C2CCCCC2)cn1
InChIInChI=1S/C18H25N3O5/c1-12(2)21(13-7-5-4-6-8-13)16(22)11-26-18(24)15-10-19-14(9-20-15)17(23)25-3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyDXDJHCAAXKTTGR-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.99
Rot. Bonds6

About 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate

2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate (PubChem CID 166205810) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate
PubChem CID166205810
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate
SMILESCOC(=O)c1cnc(C(=O)OCC(=O)N(C(C)C)C2CCCCC2)cn1
InChIInChI=1S/C18H25N3O5/c1-12(2)21(13-7-5-4-6-8-13)16(22)11-26-18(24)15-10-19-14(9-20-15)17(23)25-3/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyDXDJHCAAXKTTGR-UHFFFAOYSA-N
XLogP1.99
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate?
The IUPAC name of 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate (CID 166205810) is 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate.
What is the SMILES notation for 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate?
The canonical SMILES for 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate is COC(=O)c1cnc(C(=O)OCC(=O)N(C(C)C)C2CCCCC2)cn1.
What is the InChIKey of 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate?
The InChIKey is DXDJHCAAXKTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-12(2)21(13-7-5-4-6-8-13)16(22)11-26-18(24)15-10-19-14(9-20-15)17(23)25-3/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate?
2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate has a molecular weight of 363.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate is sourced from PubChem (CID 166205810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).