methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate

C17H16N2O4 — CID 952055

IUPACmethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C17H16N2O4/c1-22-17(21)14-10-19(15-7-3-2-6-13(14)15)11-16(20)18-9-12-5-4-8-23-12/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKeyMCHXZOAGOBQPGV-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.34
Rot. Bonds5

About methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate (PubChem CID 952055) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate
PubChem CID952055
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C17H16N2O4/c1-22-17(21)14-10-19(15-7-3-2-6-13(14)15)11-16(20)18-9-12-5-4-8-23-12/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKeyMCHXZOAGOBQPGV-UHFFFAOYSA-N
XLogP2.34
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate (CID 952055) is methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate?
The InChIKey is MCHXZOAGOBQPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-17(21)14-10-19(15-7-3-2-6-13(14)15)11-16(20)18-9-12-5-4-8-23-12/h2-8,10H,9,11H2,1H3,(H,18,20).
What are the key properties of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 952055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).