[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate

C21H23NO3 — CID 7904659

IUPAC[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C21H23NO3/c1-14-8-9-17(12-15(14)2)13-20(23)25-16(3)21(24)22-11-10-18-6-4-5-7-19(18)22/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyWUHBBLYRDWQNLU-INIZCTEOSA-N
MW337.42 g/mol
LogP3.37
Rot. Bonds4

About [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 7904659) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
PubChem CID7904659
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C21H23NO3/c1-14-8-9-17(12-15(14)2)13-20(23)25-16(3)21(24)22-11-10-18-6-4-5-7-19(18)22/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyWUHBBLYRDWQNLU-INIZCTEOSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 42900917
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524104
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 7904588
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 2426464
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 42972023
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2661581
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602289
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734594
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7602287
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783234

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate (CID 7904659) is [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate is Cc1ccc(CC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is WUHBBLYRDWQNLU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14-8-9-17(12-15(14)2)13-20(23)25-16(3)21(24)22-11-10-18-6-4-5-7-19(18)22/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m0/s1.
What are the key properties of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 337.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 7904659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).