ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate

C14H15NO5 — CID 71923929

IUPACethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccoc2C)o1
InChIInChI=1S/C14H15NO5/c1-3-18-14(17)12-5-4-10(20-12)8-15-13(16)11-6-7-19-9(11)2/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyVNWVGVFYMVWULO-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.29
Rot. Bonds5

About ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 71923929) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID71923929
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Nameethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccoc2C)o1
InChIInChI=1S/C14H15NO5/c1-3-18-14(17)12-5-4-10(20-12)8-15-13(16)11-6-7-19-9(11)2/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyVNWVGVFYMVWULO-UHFFFAOYSA-N
XLogP2.29
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 5059082
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
ethyl 5-[[(3-fluoropyridine-4-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976284
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
ethyl 5-[[(5-chloropyridine-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 84586320
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
ethyl 5-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]furan-2-carboxylate
CID 31106251

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate (CID 71923929) is ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2ccoc2C)o1.
What is the InChIKey of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is VNWVGVFYMVWULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-3-18-14(17)12-5-4-10(20-12)8-15-13(16)11-6-7-19-9(11)2/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).