N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide

C16H16N2O3 — CID 4875841

IUPACN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCc2ccccc21)c1ccco1
InChIInChI=1S/C16H16N2O3/c19-15(7-9-17-16(20)14-6-3-11-21-14)18-10-8-12-4-1-2-5-13(12)18/h1-6,11H,7-10H2,(H,17,20)
InChIKeyPDGYXAMOHAEBII-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.99
Rot. Bonds4

About N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide (PubChem CID 4875841) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
PubChem CID4875841
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(NCCC(=O)N1CCc2ccccc21)c1ccco1
InChIInChI=1S/C16H16N2O3/c19-15(7-9-17-16(20)14-6-3-11-21-14)18-10-8-12-4-1-2-5-13(12)18/h1-6,11H,7-10H2,(H,17,20)
InChIKeyPDGYXAMOHAEBII-UHFFFAOYSA-N
XLogP1.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide (CID 4875841) is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide is O=C(NCCC(=O)N1CCc2ccccc21)c1ccco1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is PDGYXAMOHAEBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(7-9-17-16(20)14-6-3-11-21-14)18-10-8-12-4-1-2-5-13(12)18/h1-6,11H,7-10H2,(H,17,20).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4875841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).