[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate

C17H16N2O4 — CID 17397079

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
SMILESCc1cccc2[nH]c(C(=O)OCC(=O)NCc3ccco3)cc12
InChIInChI=1S/C17H16N2O4/c1-11-4-2-6-14-13(11)8-15(19-14)17(21)23-10-16(20)18-9-12-5-3-7-22-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyARNRUTQWBRJCKR-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.54
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate (PubChem CID 17397079) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
PubChem CID17397079
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate
SMILESCc1cccc2[nH]c(C(=O)OCC(=O)NCc3ccco3)cc12
InChIInChI=1S/C17H16N2O4/c1-11-4-2-6-14-13(11)8-15(19-14)17(21)23-10-16(20)18-9-12-5-3-7-22-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyARNRUTQWBRJCKR-UHFFFAOYSA-N
XLogP2.54
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507105
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 34241355
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
[2-(furan-2-ylmethylamino)-2-oxoethyl] (6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2654493

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate (CID 17397079) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate is Cc1cccc2[nH]c(C(=O)OCC(=O)NCc3ccco3)cc12.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate?
The InChIKey is ARNRUTQWBRJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-4-2-6-14-13(11)8-15(19-14)17(21)23-10-16(20)18-9-12-5-3-7-22-12/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 17397079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).