dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate

C20H29NO5 — CID 12995887

IUPACdimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(C2CCCCC2)c1C(=O)OC
InChIInChI=1S/C20H29NO5/c1-24-19(22)15-16(20(23)25-2)18(21-14-11-7-4-8-12-14)26-17(15)13-9-5-3-6-10-13/h13-14,21H,3-12H2,1-2H3
InChIKeyYUJLDADGVSITBV-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.65
Rot. Bonds5

About dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate

dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate (PubChem CID 12995887) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate
PubChem CID12995887
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Namedimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(C2CCCCC2)c1C(=O)OC
InChIInChI=1S/C20H29NO5/c1-24-19(22)15-16(20(23)25-2)18(21-14-11-7-4-8-12-14)26-17(15)13-9-5-3-6-10-13/h13-14,21H,3-12H2,1-2H3
InChIKeyYUJLDADGVSITBV-UHFFFAOYSA-N
XLogP4.65
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate (CID 12995887) is dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate is COC(=O)c1c(NC2CCCCC2)oc(C2CCCCC2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate?
The InChIKey is YUJLDADGVSITBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-24-19(22)15-16(20(23)25-2)18(21-14-11-7-4-8-12-14)26-17(15)13-9-5-3-6-10-13/h13-14,21H,3-12H2,1-2H3.
What are the key properties of dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate?
dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate has a molecular weight of 363.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclohexyl-5-(cyclohexylamino)furan-3,4-dicarboxylate is sourced from PubChem (CID 12995887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).