[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

C23H25NO5 — CID 8806324

IUPAC[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)ccc1C(C)C
InChIInChI=1S/C23H25NO5/c1-13(2)18-7-6-17(9-14(18)3)28-12-22(26)29-11-21(25)16-5-8-20-19(10-16)15(4)23(27)24-20/h5-10,13,15H,11-12H2,1-4H3,(H,24,27)/t15-/m1/s1
InChIKeyZSFXPQUGRFDIOQ-OAHLLOKOSA-N
MW395.46 g/mol
LogP3.98
Rot. Bonds7

About [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (PubChem CID 8806324) 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-(3-methyl-4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
PubChem CID8806324
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-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)ccc1C(C)C
InChIInChI=1S/C23H25NO5/c1-13(2)18-7-6-17(9-14(18)3)28-12-22(26)29-11-21(25)16-5-8-20-19(10-16)15(4)23(27)24-20/h5-10,13,15H,11-12H2,1-4H3,(H,24,27)/t15-/m1/s1
InChIKeyZSFXPQUGRFDIOQ-OAHLLOKOSA-N
XLogP3.98
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405569
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
(3S)-3-methyl-5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroindol-2-one
CID 9078864
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8539890
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510718
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-pentoxybenzoate
CID 9202639
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 9081901
[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] adamantane-1-carboxylate
CID 9017892
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
[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] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653072

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (CID 8806324) is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)ccc1C(C)C.
What is the InChIKey of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The InChIKey is ZSFXPQUGRFDIOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25NO5/c1-13(2)18-7-6-17(9-14(18)3)28-12-22(26)29-11-21(25)16-5-8-20-19(10-16)15(4)23(27)24-20/h5-10,13,15H,11-12H2,1-4H3,(H,24,27)/t15-/m1/s1.
What are the key properties of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate has a molecular weight of 395.46 g/mol, XLogP of 3.98, 7 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-(3-methyl-4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8806324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).