diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate

C18H26N2O6 — CID 108782631

IUPACdiethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)NC2CCCCC2)c1C(=O)OCC
InChIInChI=1S/C18H26N2O6/c1-4-24-16(21)13-11(3)26-15(14(13)17(22)25-5-2)20-18(23)19-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,19,20,23)
InChIKeyUBVCXTGOYMQQMK-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.40
Rot. Bonds6

About diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate

diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate (PubChem CID 108782631) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
PubChem CID108782631
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Namediethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)NC2CCCCC2)c1C(=O)OCC
InChIInChI=1S/C18H26N2O6/c1-4-24-16(21)13-11(3)26-15(14(13)17(22)25-5-2)20-18(23)19-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,19,20,23)
InChIKeyUBVCXTGOYMQQMK-UHFFFAOYSA-N
XLogP3.40
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-acetyl-2-(cyclohexylcarbamothioylamino)-5-methylfuran-3-carboxylate
CID 108782926
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693670
diethyl 2-methyl-5-[(2,2,2-trichloroacetyl)amino]furan-3,4-dicarboxylate
CID 108739417
diethyl 2-(cyclopropylsulfonylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782629
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate
CID 108739449
diethyl 2-[(2-cyanoacetyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762117
ethyl 2-(cyclohexylcarbamoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4681804
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
CID 100744542

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate (CID 108782631) is diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(NC(=O)NC2CCCCC2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate?
The InChIKey is UBVCXTGOYMQQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-4-24-16(21)13-11(3)26-15(14(13)17(22)25-5-2)20-18(23)19-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,19,20,23).
What are the key properties of diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate?
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate has a molecular weight of 366.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 108782631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).