diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate

C18H23NO6 — CID 45119740

IUPACdiethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(NC(C)(C)C)oc(-c2ccco2)c1C(=O)OCC
InChIInChI=1S/C18H23NO6/c1-6-22-16(20)12-13(17(21)23-7-2)15(19-18(3,4)5)25-14(12)11-9-8-10-24-11/h8-10,19H,6-7H2,1-5H3
InChIKeyFRGQCVCHVZICME-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.10
Rot. Bonds6

About diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate

diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate (PubChem CID 45119740) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate
PubChem CID45119740
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Namediethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(NC(C)(C)C)oc(-c2ccco2)c1C(=O)OCC
InChIInChI=1S/C18H23NO6/c1-6-22-16(20)12-13(17(21)23-7-2)15(19-18(3,4)5)25-14(12)11-9-8-10-24-11/h8-10,19H,6-7H2,1-5H3
InChIKeyFRGQCVCHVZICME-UHFFFAOYSA-N
XLogP4.10
TPSA90.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081391
diethyl 2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarboxylate
CID 44556916
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate
CID 139074499
ethyl 4-acetyl-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8920771
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
ethyl 4-formyl-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 146364875
ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116533782

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate?
The IUPAC name of diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate (CID 45119740) is diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate is CCOC(=O)c1c(NC(C)(C)C)oc(-c2ccco2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate?
The InChIKey is FRGQCVCHVZICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-6-22-16(20)12-13(17(21)23-7-2)15(19-18(3,4)5)25-14(12)11-9-8-10-24-11/h8-10,19H,6-7H2,1-5H3.
What are the key properties of diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate?
diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate has a molecular weight of 349.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(tert-butylamino)-5-(furan-2-yl)furan-3,4-dicarboxylate is sourced from PubChem (CID 45119740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).