[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C22H22N2O4 — CID 7404784

IUPAC[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-15-13-17-5-2-3-6-19(17)24(15)21(26)14-28-22(27)16-8-10-18(11-9-16)23-12-4-7-20(23)25/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3/t15-/m1/s1
InChIKeyVTXFUOFOVMCEBS-OAHLLOKOSA-N
MW378.43 g/mol
LogP2.95
Rot. Bonds4

About [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7404784) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7404784
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-15-13-17-5-2-3-6-19(17)24(15)21(26)14-28-22(27)16-8-10-18(11-9-16)23-12-4-7-20(23)25/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3/t15-/m1/s1
InChIKeyVTXFUOFOVMCEBS-OAHLLOKOSA-N
XLogP2.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404793
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078937
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethylbenzoate
CID 42962850
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-4-carboxylate
CID 7889736
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,5-difluorobenzoate
CID 7925849
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803148
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2127625
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 42979614
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769267
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7404784) is [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is VTXFUOFOVMCEBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-13-17-5-2-3-6-19(17)24(15)21(26)14-28-22(27)16-8-10-18(11-9-16)23-12-4-7-20(23)25/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3/t15-/m1/s1.
What are the key properties of [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 378.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7404784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).