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

C24H20N2O7 — CID 2482476

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C24H20N2O7/c1-30-21-10-15(18(11-22(21)31-2)26-23(28)20-8-5-9-32-20)24(29)33-13-19(27)16-12-25-17-7-4-3-6-14(16)17/h3-12,25H,13H2,1-2H3,(H,26,28)
InChIKeyFOPXCFFROVQCKO-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.07
Rot. Bonds8

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2482476) has the molecular formula C24H20N2O7 and a molecular weight of 448.43 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2482476
Molecular FormulaC24H20N2O7
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C24H20N2O7/c1-30-21-10-15(18(11-22(21)31-2)26-23(28)20-8-5-9-32-20)24(29)33-13-19(27)16-12-25-17-7-4-3-6-14(16)17/h3-12,25H,13H2,1-2H3,(H,26,28)
InChIKeyFOPXCFFROVQCKO-UHFFFAOYSA-N
XLogP4.07
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2482476) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is FOPXCFFROVQCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O7/c1-30-21-10-15(18(11-22(21)31-2)26-23(28)20-8-5-9-32-20)24(29)33-13-19(27)16-12-25-17-7-4-3-6-14(16)17/h3-12,25H,13H2,1-2H3,(H,26,28).
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 448.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2482476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).