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

C18H23NO5 — CID 596773

IUPACethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1
InChIInChI=1S/C18H23NO5/c1-6-22-17(21)14-8-7-12(24-14)10-19-16(20)13-9-15(18(3,4)5)23-11(13)2/h7-9H,6,10H2,1-5H3,(H,19,20)
InChIKeyBEEZNWLPFBEOPP-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.59
Rot. Bonds5

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

ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 596773) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
PubChem CID596773
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nameethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1
InChIInChI=1S/C18H23NO5/c1-6-22-17(21)14-8-7-12(24-14)10-19-16(20)13-9-15(18(3,4)5)23-11(13)2/h7-9H,6,10H2,1-5H3,(H,19,20)
InChIKeyBEEZNWLPFBEOPP-UHFFFAOYSA-N
XLogP3.59
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate (CID 596773) is ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1.
What is the InChIKey of ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is BEEZNWLPFBEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-6-22-17(21)14-8-7-12(24-14)10-19-16(20)13-9-15(18(3,4)5)23-11(13)2/h7-9H,6,10H2,1-5H3,(H,19,20).
What are the key properties of ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 596773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).