N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C20H16N2O4 — CID 6113396

IUPACN-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccco1)C(=O)N1CCc2ccccc21)c1ccco1
InChIInChI=1S/C20H16N2O4/c23-19(18-8-4-12-26-18)21-16(13-15-6-3-11-25-15)20(24)22-10-9-14-5-1-2-7-17(14)22/h1-8,11-13H,9-10H2,(H,21,23)/b16-13+
InChIKeyLCJLFCVHUCNYJO-DTQAZKPQSA-N
MW348.36 g/mol
LogP3.23
Rot. Bonds4

About N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 6113396) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID6113396
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccco1)C(=O)N1CCc2ccccc21)c1ccco1
InChIInChI=1S/C20H16N2O4/c23-19(18-8-4-12-26-18)21-16(13-15-6-3-11-25-15)20(24)22-10-9-14-5-1-2-7-17(14)22/h1-8,11-13H,9-10H2,(H,21,23)/b16-13+
InChIKeyLCJLFCVHUCNYJO-DTQAZKPQSA-N
XLogP3.23
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 6113396) is N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is O=C(N/C(=C/c1ccco1)C(=O)N1CCc2ccccc21)c1ccco1.
What is the InChIKey of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is LCJLFCVHUCNYJO-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(18-8-4-12-26-18)21-16(13-15-6-3-11-25-15)20(24)22-10-9-14-5-1-2-7-17(14)22/h1-8,11-13H,9-10H2,(H,21,23)/b16-13+.
What are the key properties of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 6113396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).