N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid

C17H18N2O5 — CID 23724322

IUPACN-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid
SMILESO=C(O)C(=O)O.c1coc(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N2O.C2H2O4/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13;3-1(4)2(5)6/h1-6,9-10,16-17H,7-8,11H2;(H,3,4)(H,5,6)
InChIKeyLLYODEJFHKJCNM-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.25
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid

N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid (PubChem CID 23724322) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid
PubChem CID23724322
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid
SMILESO=C(O)C(=O)O.c1coc(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C15H16N2O.C2H2O4/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13;3-1(4)2(5)6/h1-6,9-10,16-17H,7-8,11H2;(H,3,4)(H,5,6)
InChIKeyLLYODEJFHKJCNM-UHFFFAOYSA-N
XLogP2.25
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid 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-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid (CID 23724322) is N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid is O=C(O)C(=O)O.c1coc(CNCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid?
The InChIKey is LLYODEJFHKJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C2H2O4/c1-2-6-15-14(5-1)12(10-17-15)7-8-16-11-13-4-3-9-18-13;3-1(4)2(5)6/h1-6,9-10,16-17H,7-8,11H2;(H,3,4)(H,5,6).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid?
N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid has a molecular weight of 330.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine;oxalic acid is sourced from PubChem (CID 23724322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).