N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide

C18H20N2O2 — CID 20940054

IUPACN-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCCc3ccco3)cc12
InChIInChI=1S/C18H20N2O2/c1-12-13(2)20(3)17-7-6-14(11-16(12)17)18(21)19-9-8-15-5-4-10-22-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyJUMJIXHROCOKLI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide

N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide (PubChem CID 20940054) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
PubChem CID20940054
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NCCc3ccco3)cc12
InChIInChI=1S/C18H20N2O2/c1-12-13(2)20(3)17-7-6-14(11-16(12)17)18(21)19-9-8-15-5-4-10-22-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyJUMJIXHROCOKLI-UHFFFAOYSA-N
XLogP3.36
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide (CID 20940054) is N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccco3)cc12.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
The InChIKey is JUMJIXHROCOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-13(2)20(3)17-7-6-14(11-16(12)17)18(21)19-9-8-15-5-4-10-22-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide?
N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide is sourced from PubChem (CID 20940054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).