[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate

C21H20N2O4 — CID 9275501

IUPAC[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccccc1C#N)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H20N2O4/c1-14-11-16-7-3-5-9-18(16)23(14)21(25)15(2)27-20(24)13-26-19-10-6-4-8-17(19)12-22/h3-10,14-15H,11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyIVOLMOUSPPYOCZ-GJZGRUSLSA-N
MW364.40 g/mol
LogP2.85
Rot. Bonds5

About [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate

[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate (PubChem CID 9275501) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
PubChem CID9275501
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccccc1C#N)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H20N2O4/c1-14-11-16-7-3-5-9-18(16)23(14)21(25)15(2)27-20(24)13-26-19-10-6-4-8-17(19)12-22/h3-10,14-15H,11,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyIVOLMOUSPPYOCZ-GJZGRUSLSA-N
XLogP2.85
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 9140194
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980296
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8904879
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865690
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579431
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579429
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018409
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234951
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234952
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907822

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate (CID 9275501) is [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate is C[C@H](OC(=O)COc1ccccc1C#N)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
The InChIKey is IVOLMOUSPPYOCZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-11-16-7-3-5-9-18(16)23(14)21(25)15(2)27-20(24)13-26-19-10-6-4-8-17(19)12-22/h3-10,14-15H,11,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate?
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate has a molecular weight of 364.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9275501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).