diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate

C26H37N3O6 — CID 101351896

IUPACdiethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c(N2C(=O)CCC2=O)n(C2CCCCC2)c1NC1CCCCC1
InChIInChI=1S/C26H37N3O6/c1-3-34-25(32)21-22(26(33)35-4-2)24(29-19(30)15-16-20(29)31)28(18-13-9-6-10-14-18)23(21)27-17-11-7-5-8-12-17/h17-18,27H,3-16H2,1-2H3
InChIKeyDERJSAQBSBPFQC-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.74
Rot. Bonds8

About diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate

diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate (PubChem CID 101351896) has the molecular formula C26H37N3O6 and a molecular weight of 487.60 g/mol. Its IUPAC name is diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate
PubChem CID101351896
Molecular FormulaC26H37N3O6
Molecular Weight487.60 g/mol
Exact Mass487.27
IUPAC Namediethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c(N2C(=O)CCC2=O)n(C2CCCCC2)c1NC1CCCCC1
InChIInChI=1S/C26H37N3O6/c1-3-34-25(32)21-22(26(33)35-4-2)24(29-19(30)15-16-20(29)31)28(18-13-9-6-10-14-18)23(21)27-17-11-7-5-8-12-17/h17-18,27H,3-16H2,1-2H3
InChIKeyDERJSAQBSBPFQC-UHFFFAOYSA-N
XLogP4.74
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate with MolForge

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Related Compounds

diethyl 5-(cyclohexylamino)-1-(4-methylphenyl)pyrazole-3,4-dicarboxylate
CID 135065265
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
CID 23958779
ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375806
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 24870959
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]benzoate
CID 71270984
ethyl 5-(cyclohexylamino)-3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 53204832
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
ethyl 4-(cycloheptylamino)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 20933517

Frequently Asked Questions

What is the IUPAC name of diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate?
The IUPAC name of diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate (CID 101351896) is diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate?
The canonical SMILES for diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate is CCOC(=O)c1c(C(=O)OCC)c(N2C(=O)CCC2=O)n(C2CCCCC2)c1NC1CCCCC1.
What is the InChIKey of diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate?
The InChIKey is DERJSAQBSBPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O6/c1-3-34-25(32)21-22(26(33)35-4-2)24(29-19(30)15-16-20(29)31)28(18-13-9-6-10-14-18)23(21)27-17-11-7-5-8-12-17/h17-18,27H,3-16H2,1-2H3.
What are the key properties of diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate?
diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate has a molecular weight of 487.60 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate is sourced from PubChem (CID 101351896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).