[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C23H25NO5 — CID 8539890

IUPAC[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)COc3ccccc3C(C)(C)C)cc21
InChIInChI=1S/C23H25NO5/c1-14-16-11-15(9-10-18(16)24-22(14)27)19(25)12-29-21(26)13-28-20-8-6-5-7-17(20)23(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,27)/t14-/m1/s1
InChIKeyLVMBNRRUUXHPRF-CQSZACIVSA-N
MW395.46 g/mol
LogP3.84
Rot. Bonds6

About [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8539890) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8539890
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)COc3ccccc3C(C)(C)C)cc21
InChIInChI=1S/C23H25NO5/c1-14-16-11-15(9-10-18(16)24-22(14)27)19(25)12-29-21(26)13-28-20-8-6-5-7-17(20)23(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,27)/t14-/m1/s1
InChIKeyLVMBNRRUUXHPRF-CQSZACIVSA-N
XLogP3.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405569
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 9491721
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806324
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631995
2-[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethoxy]-N-phenylbenzamide
CID 9018566
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309792
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 9405935
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-methoxy-5-methylphenyl)acetate
CID 8543669
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539531
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285944

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 8539890) is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is C[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)COc3ccccc3C(C)(C)C)cc21.
What is the InChIKey of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is LVMBNRRUUXHPRF-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25NO5/c1-14-16-11-15(9-10-18(16)24-22(14)27)19(25)12-29-21(26)13-28-20-8-6-5-7-17(20)23(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,24,27)/t14-/m1/s1.
What are the key properties of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 395.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8539890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).