N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C24H22N2O5 — CID 7660358

IUPACN-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCOc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C24H22N2O5/c1-29-20-10-9-16(15-22(20)30-2)14-18(25-23(27)21-8-5-13-31-21)24(28)26-12-11-17-6-3-4-7-19(17)26/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)/b18-14+
InChIKeyAYCWENVGVXTMPA-NBVRZTHBSA-N
MW418.45 g/mol
LogP3.66
Rot. Bonds6

About N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 7660358) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID7660358
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCOc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C24H22N2O5/c1-29-20-10-9-16(15-22(20)30-2)14-18(25-23(27)21-8-5-13-31-21)24(28)26-12-11-17-6-3-4-7-19(17)26/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)/b18-14+
InChIKeyAYCWENVGVXTMPA-NBVRZTHBSA-N
XLogP3.66
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 7660358) is N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)cc1OC.
What is the InChIKey of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is AYCWENVGVXTMPA-NBVRZTHBSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-29-20-10-9-16(15-22(20)30-2)14-18(25-23(27)21-8-5-13-31-21)24(28)26-12-11-17-6-3-4-7-19(17)26/h3-10,13-15H,11-12H2,1-2H3,(H,25,27)/b18-14+.
What are the key properties of N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7660358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).