[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

C21H23NO5 — CID 7273989

IUPAC[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C21H23NO5/c1-3-25-17-8-10-18(11-9-17)26-14-21(24)27-13-20(23)22-15(2)12-16-6-4-5-7-19(16)22/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1
InChIKeyUWBBQWYHEZKZBW-HNNXBMFYSA-N
MW369.42 g/mol
LogP2.99
Rot. Bonds7

About [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 7273989) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID7273989
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C21H23NO5/c1-3-25-17-8-10-18(11-9-17)26-14-21(24)27-13-20(23)22-15(2)12-16-6-4-5-7-19(16)22/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1
InChIKeyUWBBQWYHEZKZBW-HNNXBMFYSA-N
XLogP2.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 23907050
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2435156
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23960161
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4881991
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920
4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
CID 7670955
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2127625
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2417277

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate (CID 7273989) is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1.
What is the InChIKey of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is UWBBQWYHEZKZBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-3-25-17-8-10-18(11-9-17)26-14-21(24)27-13-20(23)22-15(2)12-16-6-4-5-7-19(16)22/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate?
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 369.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 7273989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).