N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide

C20H20N2O3 — CID 53494266

IUPACN,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide
SMILES[O-][N+](CCc1c[nH]c2ccccc12)(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C20H20N2O3/c23-22(14-17-5-3-11-24-17,15-18-6-4-12-25-18)10-9-16-13-21-20-8-2-1-7-19(16)20/h1-8,11-13,21H,9-10,14-15H2
InChIKeyVWGXEHQUMYFLHD-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.61
Rot. Bonds7

About N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide

N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide (PubChem CID 53494266) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide
PubChem CID53494266
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide
SMILES[O-][N+](CCc1c[nH]c2ccccc12)(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C20H20N2O3/c23-22(14-17-5-3-11-24-17,15-18-6-4-12-25-18)10-9-16-13-21-20-8-2-1-7-19(16)20/h1-8,11-13,21H,9-10,14-15H2
InChIKeyVWGXEHQUMYFLHD-UHFFFAOYSA-N
XLogP4.61
TPSA65.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide (CID 53494266) is N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide is [O-][N+](CCc1c[nH]c2ccccc12)(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide?
The InChIKey is VWGXEHQUMYFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-22(14-17-5-3-11-24-17,15-18-6-4-12-25-18)10-9-16-13-21-20-8-2-1-7-19(16)20/h1-8,11-13,21H,9-10,14-15H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide?
N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide has a molecular weight of 336.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine oxide is sourced from PubChem (CID 53494266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).