[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C24H22N2O5 — CID 4803347

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2c3ccccc3CC2C)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H22N2O5/c1-15-9-10-18(13-19(15)25-23(28)21-8-5-11-30-21)24(29)31-14-22(27)26-16(2)12-17-6-3-4-7-20(17)26/h3-11,13,16H,12,14H2,1-2H3,(H,25,28)
InChIKeyYDVLMJMBQFQPRU-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.97
Rot. Bonds5

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

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 4803347) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID4803347
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2c3ccccc3CC2C)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H22N2O5/c1-15-9-10-18(13-19(15)25-23(28)21-8-5-11-30-21)24(29)31-14-22(27)26-16(2)12-17-6-3-4-7-20(17)26/h3-11,13,16H,12,14H2,1-2H3,(H,25,28)
InChIKeyYDVLMJMBQFQPRU-UHFFFAOYSA-N
XLogP3.97
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605555
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448680
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 42962850
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 3186964
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4858769
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078937

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 4803347) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)N2c3ccccc3CC2C)cc1NC(=O)c1ccco1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is YDVLMJMBQFQPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-15-9-10-18(13-19(15)25-23(28)21-8-5-11-30-21)24(29)31-14-22(27)26-16(2)12-17-6-3-4-7-20(17)26/h3-11,13,16H,12,14H2,1-2H3,(H,25,28).
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 418.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 4803347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).