[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C24H22N2O7 — CID 2511354

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C24H22N2O7/c1-30-20-12-16(17(13-21(20)31-2)25-23(28)19-8-5-11-32-19)24(29)33-14-22(27)26-10-9-15-6-3-4-7-18(15)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,28)
InChIKeyIPKXDUQVGULGIB-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.30
Rot. Bonds7

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2511354) has the molecular formula C24H22N2O7 and a molecular weight of 450.45 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2511354
Molecular FormulaC24H22N2O7
Molecular Weight450.45 g/mol
Exact Mass450.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C24H22N2O7/c1-30-20-12-16(17(13-21(20)31-2)25-23(28)19-8-5-11-32-19)24(29)33-14-22(27)26-10-9-15-6-3-4-7-18(15)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,28)
InChIKeyIPKXDUQVGULGIB-UHFFFAOYSA-N
XLogP3.30
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534388
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 4308899
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2462595
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534409
N-[3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4242051
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2338035

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2511354) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)N2CCc3ccccc32)cc1OC.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is IPKXDUQVGULGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7/c1-30-20-12-16(17(13-21(20)31-2)25-23(28)19-8-5-11-32-19)24(29)33-14-22(27)26-10-9-15-6-3-4-7-18(15)26/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,28).
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 450.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2511354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).